USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 584 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 21 ASN : amide:sc= 0.814 K(o=0.56,f=-5.8!) USER MOD Set 1.2: A 27 SER OG : rot 65:sc= -0.253 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-4.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 1.04 (180deg=-0.0964) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 0.494 (180deg=-0.944!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 71:sc= 0.0112 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.016 F(o=-1.1,f=-0.016) USER MOD Single : A 49 THR OG1 : rot -168:sc= 0.0305 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.671 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.262 F(o=-1.7,f=-0.26) USER MOD Single : A 80 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -9.221 -5.249 -8.533 1.00 61.35 N ATOM 35 CA VAL A 3 -8.541 -4.630 -7.406 1.00 43.03 C ATOM 36 C VAL A 3 -7.545 -5.619 -6.803 1.00 61.01 C ATOM 37 O VAL A 3 -6.538 -5.229 -6.218 1.00 3.43 O ATOM 38 CB VAL A 3 -9.543 -4.154 -6.327 1.00 64.45 C ATOM 39 CG1 VAL A 3 -10.279 -5.329 -5.701 1.00 44.32 C ATOM 40 CG2 VAL A 3 -8.841 -3.324 -5.261 1.00 22.33 C ATOM 0 HA VAL A 3 -8.009 -3.751 -7.770 1.00 43.03 H new ATOM 0 HB VAL A 3 -10.282 -3.521 -6.818 1.00 64.45 H new ATOM 0 HG11 VAL A 3 -10.975 -4.962 -4.947 1.00 44.32 H new ATOM 0 HG12 VAL A 3 -10.830 -5.866 -6.473 1.00 44.32 H new ATOM 0 HG13 VAL A 3 -9.560 -6.002 -5.234 1.00 44.32 H new ATOM 0 HG21 VAL A 3 -9.567 -3.002 -4.514 1.00 22.33 H new ATOM 0 HG22 VAL A 3 -8.069 -3.926 -4.781 1.00 22.33 H new ATOM 0 HG23 VAL A 3 -8.383 -2.449 -5.724 1.00 22.33 H new ATOM 50 N ASP A 4 -7.828 -6.907 -6.983 1.00 61.13 N ATOM 51 CA ASP A 4 -6.939 -7.971 -6.525 1.00 4.31 C ATOM 52 C ASP A 4 -5.563 -7.822 -7.159 1.00 71.33 C ATOM 53 O ASP A 4 -4.536 -8.039 -6.515 1.00 10.35 O ATOM 54 CB ASP A 4 -7.509 -9.348 -6.881 1.00 75.53 C ATOM 55 CG ASP A 4 -8.932 -9.541 -6.398 1.00 5.33 C ATOM 56 OD1 ASP A 4 -9.129 -9.791 -5.192 1.00 60.01 O ATOM 57 OD2 ASP A 4 -9.860 -9.449 -7.231 1.00 0.21 O ATOM 0 H ASP A 4 -8.673 -7.240 -7.447 1.00 61.13 H new ATOM 0 HA ASP A 4 -6.852 -7.890 -5.441 1.00 4.31 H new ATOM 0 HB2 ASP A 4 -7.477 -9.480 -7.962 1.00 75.53 H new ATOM 0 HB3 ASP A 4 -6.875 -10.121 -6.446 1.00 75.53 H new ATOM 62 N HIS A 5 -5.551 -7.426 -8.428 1.00 3.30 N ATOM 63 CA HIS A 5 -4.305 -7.250 -9.155 1.00 34.40 C ATOM 64 C HIS A 5 -3.594 -6.000 -8.657 1.00 21.13 C ATOM 65 O HIS A 5 -2.367 -5.949 -8.611 1.00 45.43 O ATOM 66 CB HIS A 5 -4.562 -7.150 -10.661 1.00 44.43 C ATOM 67 CG HIS A 5 -3.323 -7.308 -11.488 1.00 72.23 C ATOM 68 ND1 HIS A 5 -2.727 -6.270 -12.171 1.00 14.11 N ATOM 69 CD2 HIS A 5 -2.568 -8.401 -11.736 1.00 11.02 C ATOM 70 CE1 HIS A 5 -1.660 -6.722 -12.805 1.00 33.42 C ATOM 71 NE2 HIS A 5 -1.543 -8.011 -12.556 1.00 44.15 N ATOM 0 H HIS A 5 -6.390 -7.222 -8.971 1.00 3.30 H new ATOM 0 HA HIS A 5 -3.672 -8.119 -8.978 1.00 34.40 H new ATOM 0 HB2 HIS A 5 -5.283 -7.914 -10.951 1.00 44.43 H new ATOM 0 HB3 HIS A 5 -5.016 -6.184 -10.881 1.00 44.43 H new ATOM 0 HD2 HIS A 5 -2.741 -9.398 -11.358 1.00 11.02 H new ATOM 0 HE1 HIS A 5 -0.996 -6.135 -13.423 1.00 33.42 H new ATOM 0 HE2 HIS A 5 -0.808 -8.620 -12.916 1.00 44.15 H new ATOM 80 N GLU A 6 -4.377 -4.995 -8.276 1.00 22.43 N ATOM 81 CA GLU A 6 -3.825 -3.781 -7.691 1.00 45.42 C ATOM 82 C GLU A 6 -3.153 -4.098 -6.362 1.00 31.21 C ATOM 83 O GLU A 6 -2.107 -3.548 -6.045 1.00 71.22 O ATOM 84 CB GLU A 6 -4.911 -2.724 -7.476 1.00 45.23 C ATOM 85 CG GLU A 6 -5.573 -2.247 -8.755 1.00 51.34 C ATOM 86 CD GLU A 6 -6.594 -1.156 -8.506 1.00 25.45 C ATOM 87 OE1 GLU A 6 -7.778 -1.486 -8.278 1.00 45.42 O ATOM 88 OE2 GLU A 6 -6.215 0.036 -8.545 1.00 42.24 O ATOM 0 H GLU A 6 -5.393 -4.999 -8.362 1.00 22.43 H new ATOM 0 HA GLU A 6 -3.088 -3.381 -8.387 1.00 45.42 H new ATOM 0 HB2 GLU A 6 -5.675 -3.133 -6.815 1.00 45.23 H new ATOM 0 HB3 GLU A 6 -4.473 -1.867 -6.965 1.00 45.23 H new ATOM 0 HG2 GLU A 6 -4.810 -1.877 -9.439 1.00 51.34 H new ATOM 0 HG3 GLU A 6 -6.059 -3.090 -9.245 1.00 51.34 H new ATOM 95 N VAL A 7 -3.757 -5.000 -5.593 1.00 62.32 N ATOM 96 CA VAL A 7 -3.203 -5.405 -4.304 1.00 51.21 C ATOM 97 C VAL A 7 -1.850 -6.086 -4.482 1.00 40.13 C ATOM 98 O VAL A 7 -0.912 -5.831 -3.728 1.00 30.13 O ATOM 99 CB VAL A 7 -4.157 -6.355 -3.549 1.00 32.25 C ATOM 100 CG1 VAL A 7 -3.583 -6.728 -2.192 1.00 33.11 C ATOM 101 CG2 VAL A 7 -5.527 -5.722 -3.385 1.00 73.43 C ATOM 0 H VAL A 7 -4.631 -5.465 -5.840 1.00 62.32 H new ATOM 0 HA VAL A 7 -3.075 -4.498 -3.714 1.00 51.21 H new ATOM 0 HB VAL A 7 -4.265 -7.264 -4.140 1.00 32.25 H new ATOM 0 HG11 VAL A 7 -4.272 -7.398 -1.677 1.00 33.11 H new ATOM 0 HG12 VAL A 7 -2.624 -7.228 -2.328 1.00 33.11 H new ATOM 0 HG13 VAL A 7 -3.441 -5.826 -1.597 1.00 33.11 H new ATOM 0 HG21 VAL A 7 -6.183 -6.409 -2.850 1.00 73.43 H new ATOM 0 HG22 VAL A 7 -5.434 -4.795 -2.820 1.00 73.43 H new ATOM 0 HG23 VAL A 7 -5.949 -5.508 -4.367 1.00 73.43 H new ATOM 111 N ASN A 8 -1.749 -6.944 -5.488 1.00 32.43 N ATOM 112 CA ASN A 8 -0.494 -7.630 -5.782 1.00 12.20 C ATOM 113 C ASN A 8 0.547 -6.633 -6.267 1.00 13.13 C ATOM 114 O ASN A 8 1.744 -6.794 -6.035 1.00 23.14 O ATOM 115 CB ASN A 8 -0.711 -8.712 -6.841 1.00 62.25 C ATOM 116 CG ASN A 8 0.462 -9.666 -6.962 1.00 2.40 C ATOM 117 OD1 ASN A 8 0.549 -10.651 -6.229 1.00 72.44 O ATOM 118 ND2 ASN A 8 1.354 -9.404 -7.903 1.00 70.22 N ATOM 0 H ASN A 8 -2.518 -7.183 -6.114 1.00 32.43 H new ATOM 0 HA ASN A 8 -0.136 -8.102 -4.867 1.00 12.20 H new ATOM 0 HB2 ASN A 8 -1.609 -9.278 -6.595 1.00 62.25 H new ATOM 0 HB3 ASN A 8 -0.888 -8.238 -7.806 1.00 62.25 H new ATOM 0 HD21 ASN A 8 2.148 -10.029 -8.041 1.00 70.22 H new ATOM 0 HD22 ASN A 8 1.247 -8.577 -8.491 1.00 70.22 H new ATOM 125 N LEU A 9 0.082 -5.598 -6.942 1.00 35.21 N ATOM 126 CA LEU A 9 0.953 -4.526 -7.358 1.00 73.43 C ATOM 127 C LEU A 9 1.382 -3.711 -6.138 1.00 22.41 C ATOM 128 O LEU A 9 2.535 -3.310 -6.018 1.00 54.34 O ATOM 129 CB LEU A 9 0.238 -3.643 -8.380 1.00 63.42 C ATOM 130 CG LEU A 9 1.037 -2.449 -8.881 1.00 41.34 C ATOM 131 CD1 LEU A 9 2.271 -2.908 -9.643 1.00 15.33 C ATOM 132 CD2 LEU A 9 0.163 -1.568 -9.752 1.00 71.31 C ATOM 0 H LEU A 9 -0.895 -5.481 -7.212 1.00 35.21 H new ATOM 0 HA LEU A 9 1.844 -4.941 -7.829 1.00 73.43 H new ATOM 0 HB2 LEU A 9 -0.040 -4.258 -9.236 1.00 63.42 H new ATOM 0 HB3 LEU A 9 -0.688 -3.279 -7.936 1.00 63.42 H new ATOM 0 HG LEU A 9 1.371 -1.867 -8.022 1.00 41.34 H new ATOM 0 HD11 LEU A 9 2.827 -2.038 -9.992 1.00 15.33 H new ATOM 0 HD12 LEU A 9 2.904 -3.504 -8.985 1.00 15.33 H new ATOM 0 HD13 LEU A 9 1.967 -3.511 -10.498 1.00 15.33 H new ATOM 0 HD21 LEU A 9 0.743 -0.716 -10.106 1.00 71.31 H new ATOM 0 HD22 LEU A 9 -0.196 -2.142 -10.606 1.00 71.31 H new ATOM 0 HD23 LEU A 9 -0.688 -1.211 -9.171 1.00 71.31 H new ATOM 144 N LEU A 10 0.436 -3.505 -5.224 1.00 43.55 N ATOM 145 CA LEU A 10 0.682 -2.783 -3.981 1.00 41.21 C ATOM 146 C LEU A 10 1.798 -3.447 -3.190 1.00 33.54 C ATOM 147 O LEU A 10 2.760 -2.795 -2.798 1.00 21.54 O ATOM 148 CB LEU A 10 -0.597 -2.742 -3.136 1.00 34.33 C ATOM 149 CG LEU A 10 -0.489 -2.001 -1.801 1.00 41.11 C ATOM 150 CD1 LEU A 10 -0.210 -0.524 -2.033 1.00 74.10 C ATOM 151 CD2 LEU A 10 -1.762 -2.189 -0.986 1.00 64.24 C ATOM 0 H LEU A 10 -0.524 -3.835 -5.326 1.00 43.55 H new ATOM 0 HA LEU A 10 0.984 -1.765 -4.227 1.00 41.21 H new ATOM 0 HB2 LEU A 10 -1.385 -2.275 -3.726 1.00 34.33 H new ATOM 0 HB3 LEU A 10 -0.912 -3.766 -2.937 1.00 34.33 H new ATOM 0 HG LEU A 10 0.344 -2.420 -1.237 1.00 41.11 H new ATOM 0 HD11 LEU A 10 -0.136 -0.013 -1.073 1.00 74.10 H new ATOM 0 HD12 LEU A 10 0.728 -0.412 -2.577 1.00 74.10 H new ATOM 0 HD13 LEU A 10 -1.021 -0.088 -2.615 1.00 74.10 H new ATOM 0 HD21 LEU A 10 -1.670 -1.656 -0.039 1.00 64.24 H new ATOM 0 HD22 LEU A 10 -2.612 -1.795 -1.543 1.00 64.24 H new ATOM 0 HD23 LEU A 10 -1.916 -3.250 -0.791 1.00 64.24 H new ATOM 163 N VAL A 11 1.673 -4.753 -2.972 1.00 65.34 N ATOM 164 CA VAL A 11 2.676 -5.489 -2.215 1.00 54.31 C ATOM 165 C VAL A 11 4.036 -5.418 -2.907 1.00 31.22 C ATOM 166 O VAL A 11 5.069 -5.326 -2.246 1.00 2.32 O ATOM 167 CB VAL A 11 2.268 -6.964 -1.969 1.00 25.04 C ATOM 168 CG1 VAL A 11 0.950 -7.031 -1.220 1.00 13.52 C ATOM 169 CG2 VAL A 11 2.183 -7.749 -3.264 1.00 44.43 C ATOM 0 H VAL A 11 0.893 -5.318 -3.307 1.00 65.34 H new ATOM 0 HA VAL A 11 2.750 -5.010 -1.239 1.00 54.31 H new ATOM 0 HB VAL A 11 3.046 -7.423 -1.359 1.00 25.04 H new ATOM 0 HG11 VAL A 11 0.678 -8.074 -1.055 1.00 13.52 H new ATOM 0 HG12 VAL A 11 1.051 -6.526 -0.259 1.00 13.52 H new ATOM 0 HG13 VAL A 11 0.173 -6.541 -1.807 1.00 13.52 H new ATOM 0 HG21 VAL A 11 1.894 -8.778 -3.048 1.00 44.43 H new ATOM 0 HG22 VAL A 11 1.439 -7.293 -3.918 1.00 44.43 H new ATOM 0 HG23 VAL A 11 3.154 -7.741 -3.759 1.00 44.43 H new ATOM 179 N GLU A 12 4.030 -5.419 -4.239 1.00 4.13 N ATOM 180 CA GLU A 12 5.250 -5.291 -5.008 1.00 22.04 C ATOM 181 C GLU A 12 5.884 -3.920 -4.769 1.00 13.33 C ATOM 182 O GLU A 12 7.088 -3.812 -4.526 1.00 11.34 O ATOM 183 CB GLU A 12 4.929 -5.481 -6.490 1.00 52.32 C ATOM 184 CG GLU A 12 6.141 -5.408 -7.388 1.00 62.12 C ATOM 185 CD GLU A 12 7.067 -6.590 -7.208 1.00 74.01 C ATOM 186 OE1 GLU A 12 7.919 -6.557 -6.297 1.00 3.22 O ATOM 187 OE2 GLU A 12 6.947 -7.565 -7.981 1.00 44.30 O ATOM 0 H GLU A 12 3.185 -5.508 -4.803 1.00 4.13 H new ATOM 0 HA GLU A 12 5.962 -6.054 -4.693 1.00 22.04 H new ATOM 0 HB2 GLU A 12 4.444 -6.448 -6.627 1.00 52.32 H new ATOM 0 HB3 GLU A 12 4.213 -4.719 -6.798 1.00 52.32 H new ATOM 0 HG2 GLU A 12 5.817 -5.360 -8.427 1.00 62.12 H new ATOM 0 HG3 GLU A 12 6.687 -4.488 -7.181 1.00 62.12 H new ATOM 194 N GLU A 13 5.058 -2.880 -4.809 1.00 31.31 N ATOM 195 CA GLU A 13 5.523 -1.517 -4.585 1.00 42.32 C ATOM 196 C GLU A 13 6.046 -1.339 -3.168 1.00 34.53 C ATOM 197 O GLU A 13 6.949 -0.546 -2.931 1.00 70.21 O ATOM 198 CB GLU A 13 4.408 -0.511 -4.864 1.00 23.41 C ATOM 199 CG GLU A 13 3.979 -0.482 -6.320 1.00 13.32 C ATOM 200 CD GLU A 13 5.163 -0.473 -7.266 1.00 32.22 C ATOM 201 OE1 GLU A 13 6.021 0.427 -7.146 1.00 3.33 O ATOM 202 OE2 GLU A 13 5.260 -1.387 -8.110 1.00 50.54 O ATOM 0 H GLU A 13 4.058 -2.956 -4.996 1.00 31.31 H new ATOM 0 HA GLU A 13 6.344 -1.331 -5.278 1.00 42.32 H new ATOM 0 HB2 GLU A 13 3.546 -0.753 -4.243 1.00 23.41 H new ATOM 0 HB3 GLU A 13 4.743 0.484 -4.571 1.00 23.41 H new ATOM 0 HG2 GLU A 13 3.355 -1.350 -6.530 1.00 13.32 H new ATOM 0 HG3 GLU A 13 3.367 0.402 -6.499 1.00 13.32 H new ATOM 209 N ILE A 14 5.487 -2.080 -2.226 1.00 70.34 N ATOM 210 CA ILE A 14 5.965 -2.035 -0.851 1.00 5.33 C ATOM 211 C ILE A 14 7.356 -2.663 -0.757 1.00 12.43 C ATOM 212 O ILE A 14 8.193 -2.224 0.027 1.00 43.34 O ATOM 213 CB ILE A 14 4.984 -2.734 0.117 1.00 63.12 C ATOM 214 CG1 ILE A 14 3.611 -2.067 0.021 1.00 72.34 C ATOM 215 CG2 ILE A 14 5.499 -2.669 1.550 1.00 43.23 C ATOM 216 CD1 ILE A 14 2.530 -2.771 0.805 1.00 52.40 C ATOM 0 H ILE A 14 4.706 -2.717 -2.385 1.00 70.34 H new ATOM 0 HA ILE A 14 6.027 -0.989 -0.551 1.00 5.33 H new ATOM 0 HB ILE A 14 4.899 -3.783 -0.166 1.00 63.12 H new ATOM 0 HG12 ILE A 14 3.692 -1.040 0.376 1.00 72.34 H new ATOM 0 HG13 ILE A 14 3.314 -2.020 -1.027 1.00 72.34 H new ATOM 0 HG21 ILE A 14 4.792 -3.167 2.214 1.00 43.23 H new ATOM 0 HG22 ILE A 14 6.467 -3.166 1.612 1.00 43.23 H new ATOM 0 HG23 ILE A 14 5.607 -1.627 1.851 1.00 43.23 H new ATOM 0 HD11 ILE A 14 1.587 -2.237 0.686 1.00 52.40 H new ATOM 0 HD12 ILE A 14 2.418 -3.791 0.436 1.00 52.40 H new ATOM 0 HD13 ILE A 14 2.803 -2.795 1.860 1.00 52.40 H new ATOM 228 N HIS A 15 7.604 -3.683 -1.572 1.00 43.04 N ATOM 229 CA HIS A 15 8.941 -4.271 -1.673 1.00 24.11 C ATOM 230 C HIS A 15 9.900 -3.310 -2.380 1.00 71.22 C ATOM 231 O HIS A 15 11.089 -3.255 -2.064 1.00 63.30 O ATOM 232 CB HIS A 15 8.909 -5.599 -2.443 1.00 42.21 C ATOM 233 CG HIS A 15 8.390 -6.769 -1.660 1.00 52.14 C ATOM 234 ND1 HIS A 15 9.204 -7.772 -1.186 1.00 62.11 N ATOM 235 CD2 HIS A 15 7.133 -7.114 -1.302 1.00 13.33 C ATOM 236 CE1 HIS A 15 8.471 -8.680 -0.572 1.00 51.43 C ATOM 237 NE2 HIS A 15 7.208 -8.307 -0.627 1.00 42.02 N ATOM 0 H HIS A 15 6.903 -4.120 -2.170 1.00 43.04 H new ATOM 0 HA HIS A 15 9.290 -4.458 -0.657 1.00 24.11 H new ATOM 0 HB2 HIS A 15 8.291 -5.472 -3.332 1.00 42.21 H new ATOM 0 HB3 HIS A 15 9.918 -5.828 -2.786 1.00 42.21 H new ATOM 0 HD2 HIS A 15 6.234 -6.553 -1.509 1.00 13.33 H new ATOM 0 HE1 HIS A 15 8.843 -9.579 -0.103 1.00 51.43 H new ATOM 0 HE2 HIS A 15 6.418 -8.819 -0.234 1.00 42.02 H new ATOM 246 N ARG A 16 9.367 -2.557 -3.337 1.00 24.43 N ATOM 247 CA ARG A 16 10.177 -1.681 -4.183 1.00 64.22 C ATOM 248 C ARG A 16 10.507 -0.350 -3.507 1.00 23.33 C ATOM 249 O ARG A 16 11.664 0.070 -3.482 1.00 40.20 O ATOM 250 CB ARG A 16 9.438 -1.421 -5.497 1.00 10.54 C ATOM 251 CG ARG A 16 9.832 -2.363 -6.624 1.00 2.24 C ATOM 252 CD ARG A 16 8.803 -2.369 -7.747 1.00 32.11 C ATOM 253 NE ARG A 16 8.213 -1.050 -7.989 1.00 43.42 N ATOM 254 CZ ARG A 16 8.571 -0.221 -8.968 1.00 51.54 C ATOM 255 NH1 ARG A 16 9.549 -0.546 -9.806 1.00 65.34 N ATOM 256 NH2 ARG A 16 7.928 0.930 -9.112 1.00 60.03 N ATOM 0 H ARG A 16 8.369 -2.535 -3.549 1.00 24.43 H new ATOM 0 HA ARG A 16 11.123 -2.190 -4.369 1.00 64.22 H new ATOM 0 HB2 ARG A 16 8.366 -1.508 -5.322 1.00 10.54 H new ATOM 0 HB3 ARG A 16 9.627 -0.395 -5.812 1.00 10.54 H new ATOM 0 HG2 ARG A 16 10.802 -2.066 -7.022 1.00 2.24 H new ATOM 0 HG3 ARG A 16 9.945 -3.373 -6.230 1.00 2.24 H new ATOM 0 HD2 ARG A 16 9.275 -2.723 -8.663 1.00 32.11 H new ATOM 0 HD3 ARG A 16 8.010 -3.076 -7.503 1.00 32.11 H new ATOM 0 HE ARG A 16 7.471 -0.743 -7.360 1.00 43.42 H new ATOM 0 HH11 ARG A 16 10.034 -1.438 -9.703 1.00 65.34 H new ATOM 0 HH12 ARG A 16 9.815 0.096 -10.552 1.00 65.34 H new ATOM 0 HH21 ARG A 16 7.168 1.173 -8.477 1.00 60.03 H new ATOM 0 HH22 ARG A 16 8.194 1.573 -9.858 1.00 60.03 H new ATOM 270 N LEU A 17 9.502 0.307 -2.960 1.00 32.33 N ATOM 271 CA LEU A 17 9.685 1.636 -2.387 1.00 63.42 C ATOM 272 C LEU A 17 9.782 1.571 -0.872 1.00 70.22 C ATOM 273 O LEU A 17 10.163 2.546 -0.222 1.00 0.25 O ATOM 274 CB LEU A 17 8.521 2.549 -2.785 1.00 61.31 C ATOM 275 CG LEU A 17 8.339 2.758 -4.290 1.00 11.22 C ATOM 276 CD1 LEU A 17 7.142 3.657 -4.555 1.00 35.42 C ATOM 277 CD2 LEU A 17 9.598 3.347 -4.911 1.00 50.34 C ATOM 0 H LEU A 17 8.550 -0.053 -2.898 1.00 32.33 H new ATOM 0 HA LEU A 17 10.618 2.042 -2.778 1.00 63.42 H new ATOM 0 HB2 LEU A 17 7.599 2.133 -2.379 1.00 61.31 H new ATOM 0 HB3 LEU A 17 8.666 3.522 -2.315 1.00 61.31 H new ATOM 0 HG LEU A 17 8.156 1.788 -4.752 1.00 11.22 H new ATOM 0 HD11 LEU A 17 7.023 3.798 -5.629 1.00 35.42 H new ATOM 0 HD12 LEU A 17 6.243 3.195 -4.148 1.00 35.42 H new ATOM 0 HD13 LEU A 17 7.301 4.624 -4.078 1.00 35.42 H new ATOM 0 HD21 LEU A 17 9.445 3.487 -5.981 1.00 50.34 H new ATOM 0 HD22 LEU A 17 9.817 4.309 -4.447 1.00 50.34 H new ATOM 0 HD23 LEU A 17 10.435 2.668 -4.750 1.00 50.34 H new ATOM 289 N GLY A 18 9.446 0.420 -0.316 1.00 55.33 N ATOM 290 CA GLY A 18 9.412 0.280 1.117 1.00 1.02 C ATOM 291 C GLY A 18 10.722 -0.203 1.692 1.00 74.44 C ATOM 292 O GLY A 18 11.551 -0.787 0.994 1.00 15.40 O ATOM 0 H GLY A 18 9.196 -0.421 -0.836 1.00 55.33 H new ATOM 0 HA2 GLY A 18 9.157 1.240 1.565 1.00 1.02 H new ATOM 0 HA3 GLY A 18 8.622 -0.419 1.390 1.00 1.02 H new ATOM 296 N SER A 19 10.892 0.041 2.971 1.00 51.30 N ATOM 297 CA SER A 19 12.081 -0.364 3.694 1.00 50.31 C ATOM 298 C SER A 19 11.653 -1.286 4.824 1.00 40.02 C ATOM 299 O SER A 19 10.489 -1.259 5.232 1.00 25.33 O ATOM 300 CB SER A 19 12.815 0.866 4.242 1.00 21.21 C ATOM 301 OG SER A 19 14.146 0.553 4.633 1.00 14.52 O ATOM 0 H SER A 19 10.205 0.530 3.546 1.00 51.30 H new ATOM 0 HA SER A 19 12.769 -0.888 3.030 1.00 50.31 H new ATOM 0 HB2 SER A 19 12.833 1.647 3.482 1.00 21.21 H new ATOM 0 HB3 SER A 19 12.269 1.265 5.097 1.00 21.21 H new ATOM 0 HG SER A 19 14.585 1.360 4.976 1.00 14.52 H new ATOM 307 N LYS A 20 12.556 -2.118 5.314 1.00 31.02 N ATOM 308 CA LYS A 20 12.186 -3.062 6.352 1.00 11.33 C ATOM 309 C LYS A 20 12.063 -2.392 7.705 1.00 3.24 C ATOM 310 O LYS A 20 12.880 -1.557 8.103 1.00 50.20 O ATOM 311 CB LYS A 20 13.149 -4.236 6.438 1.00 73.24 C ATOM 312 CG LYS A 20 13.133 -5.104 5.200 1.00 62.31 C ATOM 313 CD LYS A 20 13.687 -6.492 5.473 1.00 13.04 C ATOM 314 CE LYS A 20 14.994 -6.447 6.250 1.00 33.40 C ATOM 315 NZ LYS A 20 15.445 -7.807 6.635 1.00 15.03 N ATOM 0 H LYS A 20 13.531 -2.159 5.017 1.00 31.02 H new ATOM 0 HA LYS A 20 11.208 -3.451 6.068 1.00 11.33 H new ATOM 0 HB2 LYS A 20 14.159 -3.859 6.598 1.00 73.24 H new ATOM 0 HB3 LYS A 20 12.895 -4.845 7.306 1.00 73.24 H new ATOM 0 HG2 LYS A 20 12.112 -5.188 4.829 1.00 62.31 H new ATOM 0 HG3 LYS A 20 13.720 -4.627 4.415 1.00 62.31 H new ATOM 0 HD2 LYS A 20 12.953 -7.070 6.034 1.00 13.04 H new ATOM 0 HD3 LYS A 20 13.846 -7.010 4.527 1.00 13.04 H new ATOM 0 HE2 LYS A 20 15.762 -5.966 5.645 1.00 33.40 H new ATOM 0 HE3 LYS A 20 14.866 -5.838 7.145 1.00 33.40 H new ATOM 0 HZ1 LYS A 20 16.338 -7.740 7.163 1.00 15.03 H new ATOM 0 HZ2 LYS A 20 14.722 -8.256 7.233 1.00 15.03 H new ATOM 0 HZ3 LYS A 20 15.591 -8.380 5.779 1.00 15.03 H new ATOM 329 N ASN A 21 11.000 -2.773 8.374 1.00 63.42 N ATOM 330 CA ASN A 21 10.630 -2.259 9.685 1.00 43.34 C ATOM 331 C ASN A 21 11.566 -2.807 10.754 1.00 41.41 C ATOM 332 O ASN A 21 12.497 -3.559 10.461 1.00 22.44 O ATOM 333 CB ASN A 21 9.198 -2.709 9.984 1.00 4.31 C ATOM 334 CG ASN A 21 8.413 -1.800 10.903 1.00 53.44 C ATOM 335 OD1 ASN A 21 8.959 -1.131 11.777 1.00 54.14 O ATOM 336 ND2 ASN A 21 7.106 -1.789 10.700 1.00 32.44 N ATOM 0 H ASN A 21 10.346 -3.469 8.016 1.00 63.42 H new ATOM 0 HA ASN A 21 10.702 -1.171 9.688 1.00 43.34 H new ATOM 0 HB2 ASN A 21 8.659 -2.799 9.041 1.00 4.31 H new ATOM 0 HB3 ASN A 21 9.233 -3.704 10.427 1.00 4.31 H new ATOM 0 HD21 ASN A 21 6.504 -1.207 11.283 1.00 32.44 H new ATOM 0 HD22 ASN A 21 6.700 -2.363 9.961 1.00 32.44 H new ATOM 343 N ALA A 22 11.298 -2.447 11.992 1.00 43.12 N ATOM 344 CA ALA A 22 12.020 -3.002 13.127 1.00 71.15 C ATOM 345 C ALA A 22 11.551 -4.429 13.371 1.00 12.22 C ATOM 346 O ALA A 22 12.269 -5.261 13.922 1.00 21.14 O ATOM 347 CB ALA A 22 11.795 -2.147 14.362 1.00 43.34 C ATOM 0 H ALA A 22 10.580 -1.767 12.243 1.00 43.12 H new ATOM 0 HA ALA A 22 13.088 -3.009 12.910 1.00 71.15 H new ATOM 0 HB1 ALA A 22 12.341 -2.573 15.204 1.00 43.34 H new ATOM 0 HB2 ALA A 22 12.152 -1.134 14.173 1.00 43.34 H new ATOM 0 HB3 ALA A 22 10.731 -2.119 14.596 1.00 43.34 H new ATOM 353 N ASP A 23 10.329 -4.690 12.928 1.00 11.23 N ATOM 354 CA ASP A 23 9.698 -5.998 13.065 1.00 63.21 C ATOM 355 C ASP A 23 10.189 -6.959 11.980 1.00 14.03 C ATOM 356 O ASP A 23 10.069 -8.177 12.107 1.00 51.53 O ATOM 357 CB ASP A 23 8.175 -5.825 12.967 1.00 31.44 C ATOM 358 CG ASP A 23 7.405 -7.112 13.178 1.00 64.13 C ATOM 359 OD1 ASP A 23 7.247 -7.882 12.210 1.00 32.14 O ATOM 360 OD2 ASP A 23 6.919 -7.334 14.307 1.00 31.21 O ATOM 0 H ASP A 23 9.743 -3.998 12.461 1.00 11.23 H new ATOM 0 HA ASP A 23 9.964 -6.424 14.033 1.00 63.21 H new ATOM 0 HB2 ASP A 23 7.852 -5.093 13.707 1.00 31.44 H new ATOM 0 HB3 ASP A 23 7.926 -5.419 11.987 1.00 31.44 H new ATOM 365 N GLY A 24 10.784 -6.401 10.930 1.00 50.21 N ATOM 366 CA GLY A 24 11.191 -7.205 9.790 1.00 25.32 C ATOM 367 C GLY A 24 10.150 -7.191 8.686 1.00 71.34 C ATOM 368 O GLY A 24 10.298 -7.859 7.660 1.00 62.11 O ATOM 0 H GLY A 24 10.992 -5.406 10.848 1.00 50.21 H new ATOM 0 HA2 GLY A 24 12.138 -6.830 9.401 1.00 25.32 H new ATOM 0 HA3 GLY A 24 11.364 -8.232 10.113 1.00 25.32 H new ATOM 372 N LYS A 25 9.088 -6.432 8.910 1.00 43.22 N ATOM 373 CA LYS A 25 8.028 -6.262 7.926 1.00 54.32 C ATOM 374 C LYS A 25 8.339 -5.091 7.001 1.00 54.15 C ATOM 375 O LYS A 25 8.881 -4.087 7.441 1.00 71.12 O ATOM 376 CB LYS A 25 6.691 -6.031 8.640 1.00 64.03 C ATOM 377 CG LYS A 25 6.136 -7.283 9.306 1.00 12.14 C ATOM 378 CD LYS A 25 4.769 -7.035 9.927 1.00 54.34 C ATOM 379 CE LYS A 25 4.172 -8.317 10.495 1.00 31.14 C ATOM 380 NZ LYS A 25 4.885 -8.778 11.717 1.00 41.23 N ATOM 0 H LYS A 25 8.936 -5.917 9.777 1.00 43.22 H new ATOM 0 HA LYS A 25 7.960 -7.167 7.323 1.00 54.32 H new ATOM 0 HB2 LYS A 25 6.820 -5.254 9.394 1.00 64.03 H new ATOM 0 HB3 LYS A 25 5.963 -5.658 7.920 1.00 64.03 H new ATOM 0 HG2 LYS A 25 6.061 -8.083 8.570 1.00 12.14 H new ATOM 0 HG3 LYS A 25 6.829 -7.622 10.076 1.00 12.14 H new ATOM 0 HD2 LYS A 25 4.858 -6.292 10.719 1.00 54.34 H new ATOM 0 HD3 LYS A 25 4.097 -6.621 9.176 1.00 54.34 H new ATOM 0 HE2 LYS A 25 3.121 -8.152 10.731 1.00 31.14 H new ATOM 0 HE3 LYS A 25 4.210 -9.100 9.738 1.00 31.14 H new ATOM 0 HZ1 LYS A 25 5.098 -9.792 11.633 1.00 41.23 H new ATOM 0 HZ2 LYS A 25 5.772 -8.246 11.823 1.00 41.23 H new ATOM 0 HZ3 LYS A 25 4.284 -8.619 12.551 1.00 41.23 H new ATOM 394 N LEU A 26 8.030 -5.224 5.717 1.00 32.23 N ATOM 395 CA LEU A 26 8.197 -4.114 4.790 1.00 33.03 C ATOM 396 C LEU A 26 7.232 -2.996 5.139 1.00 23.21 C ATOM 397 O LEU A 26 6.070 -3.247 5.460 1.00 71.32 O ATOM 398 CB LEU A 26 7.970 -4.554 3.340 1.00 60.12 C ATOM 399 CG LEU A 26 9.109 -5.342 2.683 1.00 72.35 C ATOM 400 CD1 LEU A 26 10.401 -4.540 2.699 1.00 15.15 C ATOM 401 CD2 LEU A 26 9.308 -6.695 3.349 1.00 24.13 C ATOM 0 H LEU A 26 7.666 -6.080 5.298 1.00 32.23 H new ATOM 0 HA LEU A 26 9.223 -3.757 4.881 1.00 33.03 H new ATOM 0 HB2 LEU A 26 7.067 -5.164 3.305 1.00 60.12 H new ATOM 0 HB3 LEU A 26 7.778 -3.665 2.739 1.00 60.12 H new ATOM 0 HG LEU A 26 8.828 -5.522 1.645 1.00 72.35 H new ATOM 0 HD11 LEU A 26 11.195 -5.119 2.228 1.00 15.15 H new ATOM 0 HD12 LEU A 26 10.258 -3.608 2.152 1.00 15.15 H new ATOM 0 HD13 LEU A 26 10.678 -4.317 3.729 1.00 15.15 H new ATOM 0 HD21 LEU A 26 10.123 -7.226 2.858 1.00 24.13 H new ATOM 0 HD22 LEU A 26 9.552 -6.550 4.401 1.00 24.13 H new ATOM 0 HD23 LEU A 26 8.392 -7.280 3.266 1.00 24.13 H new ATOM 413 N SER A 27 7.717 -1.772 5.116 1.00 64.44 N ATOM 414 CA SER A 27 6.881 -0.624 5.403 1.00 5.22 C ATOM 415 C SER A 27 7.274 0.552 4.519 1.00 45.34 C ATOM 416 O SER A 27 8.456 0.767 4.244 1.00 0.43 O ATOM 417 CB SER A 27 7.012 -0.254 6.880 1.00 62.03 C ATOM 418 OG SER A 27 6.774 -1.387 7.703 1.00 11.55 O ATOM 0 H SER A 27 8.688 -1.546 4.901 1.00 64.44 H new ATOM 0 HA SER A 27 5.842 -0.875 5.191 1.00 5.22 H new ATOM 0 HB2 SER A 27 8.009 0.140 7.074 1.00 62.03 H new ATOM 0 HB3 SER A 27 6.303 0.536 7.127 1.00 62.03 H new ATOM 0 HG SER A 27 7.473 -2.056 7.549 1.00 11.55 H new ATOM 424 N VAL A 28 6.282 1.303 4.074 1.00 32.22 N ATOM 425 CA VAL A 28 6.519 2.459 3.227 1.00 2.35 C ATOM 426 C VAL A 28 5.514 3.554 3.556 1.00 62.01 C ATOM 427 O VAL A 28 4.337 3.275 3.783 1.00 53.04 O ATOM 428 CB VAL A 28 6.431 2.086 1.722 1.00 2.33 C ATOM 429 CG1 VAL A 28 5.071 1.495 1.375 1.00 2.11 C ATOM 430 CG2 VAL A 28 6.729 3.294 0.843 1.00 5.53 C ATOM 0 H VAL A 28 5.299 1.132 4.287 1.00 32.22 H new ATOM 0 HA VAL A 28 7.528 2.822 3.422 1.00 2.35 H new ATOM 0 HB VAL A 28 7.187 1.325 1.528 1.00 2.33 H new ATOM 0 HG11 VAL A 28 5.043 1.245 0.314 1.00 2.11 H new ATOM 0 HG12 VAL A 28 4.905 0.594 1.965 1.00 2.11 H new ATOM 0 HG13 VAL A 28 4.291 2.223 1.597 1.00 2.11 H new ATOM 0 HG21 VAL A 28 6.661 3.006 -0.206 1.00 5.53 H new ATOM 0 HG22 VAL A 28 6.006 4.082 1.051 1.00 5.53 H new ATOM 0 HG23 VAL A 28 7.734 3.659 1.055 1.00 5.53 H new ATOM 440 N LYS A 29 5.976 4.794 3.615 1.00 42.44 N ATOM 441 CA LYS A 29 5.090 5.906 3.907 1.00 0.51 C ATOM 442 C LYS A 29 4.186 6.183 2.718 1.00 65.23 C ATOM 443 O LYS A 29 4.637 6.166 1.566 1.00 41.04 O ATOM 444 CB LYS A 29 5.885 7.160 4.278 1.00 15.53 C ATOM 445 CG LYS A 29 6.719 6.990 5.534 1.00 54.42 C ATOM 446 CD LYS A 29 7.345 8.301 5.980 1.00 42.23 C ATOM 447 CE LYS A 29 8.255 8.106 7.185 1.00 62.21 C ATOM 448 NZ LYS A 29 7.537 7.514 8.348 1.00 40.00 N ATOM 0 H LYS A 29 6.951 5.052 3.466 1.00 42.44 H new ATOM 0 HA LYS A 29 4.473 5.634 4.763 1.00 0.51 H new ATOM 0 HB2 LYS A 29 6.540 7.426 3.448 1.00 15.53 H new ATOM 0 HB3 LYS A 29 5.195 7.992 4.418 1.00 15.53 H new ATOM 0 HG2 LYS A 29 6.093 6.596 6.335 1.00 54.42 H new ATOM 0 HG3 LYS A 29 7.504 6.256 5.352 1.00 54.42 H new ATOM 0 HD2 LYS A 29 7.917 8.730 5.157 1.00 42.23 H new ATOM 0 HD3 LYS A 29 6.559 9.014 6.228 1.00 42.23 H new ATOM 0 HE2 LYS A 29 9.087 7.459 6.908 1.00 62.21 H new ATOM 0 HE3 LYS A 29 8.681 9.067 7.475 1.00 62.21 H new ATOM 0 HZ1 LYS A 29 7.906 7.925 9.229 1.00 40.00 H new ATOM 0 HZ2 LYS A 29 6.520 7.719 8.269 1.00 40.00 H new ATOM 0 HZ3 LYS A 29 7.683 6.484 8.358 1.00 40.00 H new ATOM 462 N PHE A 30 2.912 6.430 3.007 1.00 52.32 N ATOM 463 CA PHE A 30 1.915 6.704 1.982 1.00 13.51 C ATOM 464 C PHE A 30 2.371 7.825 1.055 1.00 15.42 C ATOM 465 O PHE A 30 2.138 7.773 -0.149 1.00 40.14 O ATOM 466 CB PHE A 30 0.580 7.074 2.635 1.00 53.52 C ATOM 467 CG PHE A 30 -0.500 7.406 1.648 1.00 62.00 C ATOM 468 CD1 PHE A 30 -1.097 6.408 0.901 1.00 44.11 C ATOM 469 CD2 PHE A 30 -0.920 8.716 1.473 1.00 63.44 C ATOM 470 CE1 PHE A 30 -2.093 6.705 -0.007 1.00 14.30 C ATOM 471 CE2 PHE A 30 -1.915 9.021 0.567 1.00 3.22 C ATOM 472 CZ PHE A 30 -2.503 8.013 -0.175 1.00 62.44 C ATOM 0 H PHE A 30 2.544 6.445 3.958 1.00 52.32 H new ATOM 0 HA PHE A 30 1.787 5.802 1.384 1.00 13.51 H new ATOM 0 HB2 PHE A 30 0.248 6.244 3.259 1.00 53.52 H new ATOM 0 HB3 PHE A 30 0.732 7.928 3.295 1.00 53.52 H new ATOM 0 HD1 PHE A 30 -0.780 5.384 1.029 1.00 44.11 H new ATOM 0 HD2 PHE A 30 -0.464 9.505 2.052 1.00 63.44 H new ATOM 0 HE1 PHE A 30 -2.551 5.916 -0.585 1.00 14.30 H new ATOM 0 HE2 PHE A 30 -2.234 10.045 0.438 1.00 3.22 H new ATOM 0 HZ PHE A 30 -3.282 8.248 -0.885 1.00 62.44 H new ATOM 482 N GLY A 31 3.036 8.823 1.624 1.00 0.35 N ATOM 483 CA GLY A 31 3.509 9.949 0.844 1.00 10.30 C ATOM 484 C GLY A 31 4.438 9.536 -0.281 1.00 12.44 C ATOM 485 O GLY A 31 4.320 10.033 -1.402 1.00 31.42 O ATOM 0 H GLY A 31 3.257 8.872 2.619 1.00 0.35 H new ATOM 0 HA2 GLY A 31 2.654 10.480 0.426 1.00 10.30 H new ATOM 0 HA3 GLY A 31 4.029 10.647 1.500 1.00 10.30 H new ATOM 489 N VAL A 32 5.342 8.607 0.010 1.00 23.41 N ATOM 490 CA VAL A 32 6.314 8.146 -0.972 1.00 0.14 C ATOM 491 C VAL A 32 5.632 7.291 -2.035 1.00 72.12 C ATOM 492 O VAL A 32 5.868 7.462 -3.234 1.00 41.42 O ATOM 493 CB VAL A 32 7.442 7.329 -0.307 1.00 53.32 C ATOM 494 CG1 VAL A 32 8.489 6.911 -1.330 1.00 44.31 C ATOM 495 CG2 VAL A 32 8.081 8.122 0.824 1.00 54.20 C ATOM 0 H VAL A 32 5.421 8.157 0.922 1.00 23.41 H new ATOM 0 HA VAL A 32 6.752 9.029 -1.438 1.00 0.14 H new ATOM 0 HB VAL A 32 7.003 6.424 0.113 1.00 53.32 H new ATOM 0 HG11 VAL A 32 9.272 6.337 -0.835 1.00 44.31 H new ATOM 0 HG12 VAL A 32 8.021 6.298 -2.100 1.00 44.31 H new ATOM 0 HG13 VAL A 32 8.925 7.799 -1.788 1.00 44.31 H new ATOM 0 HG21 VAL A 32 8.874 7.530 1.281 1.00 54.20 H new ATOM 0 HG22 VAL A 32 8.501 9.047 0.428 1.00 54.20 H new ATOM 0 HG23 VAL A 32 7.326 8.358 1.574 1.00 54.20 H new ATOM 505 N LEU A 33 4.771 6.387 -1.581 1.00 45.42 N ATOM 506 CA LEU A 33 4.047 5.490 -2.474 1.00 74.13 C ATOM 507 C LEU A 33 3.133 6.295 -3.401 1.00 0.01 C ATOM 508 O LEU A 33 3.122 6.088 -4.615 1.00 71.10 O ATOM 509 CB LEU A 33 3.232 4.488 -1.637 1.00 1.44 C ATOM 510 CG LEU A 33 2.758 3.213 -2.357 1.00 53.33 C ATOM 511 CD1 LEU A 33 1.636 3.507 -3.339 1.00 0.44 C ATOM 512 CD2 LEU A 33 3.922 2.546 -3.070 1.00 44.52 C ATOM 0 H LEU A 33 4.556 6.256 -0.592 1.00 45.42 H new ATOM 0 HA LEU A 33 4.755 4.939 -3.093 1.00 74.13 H new ATOM 0 HB2 LEU A 33 3.835 4.191 -0.779 1.00 1.44 H new ATOM 0 HB3 LEU A 33 2.355 5.004 -1.246 1.00 1.44 H new ATOM 0 HG LEU A 33 2.366 2.533 -1.601 1.00 53.33 H new ATOM 0 HD11 LEU A 33 1.328 2.582 -3.827 1.00 0.44 H new ATOM 0 HD12 LEU A 33 0.788 3.935 -2.805 1.00 0.44 H new ATOM 0 HD13 LEU A 33 1.986 4.215 -4.090 1.00 0.44 H new ATOM 0 HD21 LEU A 33 3.572 1.646 -3.575 1.00 44.52 H new ATOM 0 HD22 LEU A 33 4.341 3.234 -3.804 1.00 44.52 H new ATOM 0 HD23 LEU A 33 4.689 2.279 -2.343 1.00 44.52 H new ATOM 524 N PHE A 34 2.402 7.241 -2.821 1.00 5.02 N ATOM 525 CA PHE A 34 1.460 8.063 -3.572 1.00 35.10 C ATOM 526 C PHE A 34 2.203 8.919 -4.595 1.00 60.21 C ATOM 527 O PHE A 34 1.724 9.123 -5.709 1.00 10.34 O ATOM 528 CB PHE A 34 0.668 8.954 -2.609 1.00 64.42 C ATOM 529 CG PHE A 34 -0.505 9.655 -3.235 1.00 1.22 C ATOM 530 CD1 PHE A 34 -1.700 8.983 -3.435 1.00 50.44 C ATOM 531 CD2 PHE A 34 -0.419 10.986 -3.610 1.00 70.23 C ATOM 532 CE1 PHE A 34 -2.787 9.621 -3.999 1.00 45.51 C ATOM 533 CE2 PHE A 34 -1.503 11.629 -4.175 1.00 52.34 C ATOM 534 CZ PHE A 34 -2.688 10.946 -4.369 1.00 24.11 C ATOM 0 H PHE A 34 2.445 7.458 -1.825 1.00 5.02 H new ATOM 0 HA PHE A 34 0.767 7.412 -4.105 1.00 35.10 H new ATOM 0 HB2 PHE A 34 0.311 8.344 -1.779 1.00 64.42 H new ATOM 0 HB3 PHE A 34 1.341 9.702 -2.189 1.00 64.42 H new ATOM 0 HD1 PHE A 34 -1.782 7.946 -3.146 1.00 50.44 H new ATOM 0 HD2 PHE A 34 0.504 11.526 -3.459 1.00 70.23 H new ATOM 0 HE1 PHE A 34 -3.712 9.084 -4.150 1.00 45.51 H new ATOM 0 HE2 PHE A 34 -1.424 12.666 -4.465 1.00 52.34 H new ATOM 0 HZ PHE A 34 -3.536 11.449 -4.810 1.00 24.11 H new ATOM 544 N ARG A 35 3.382 9.398 -4.207 1.00 33.51 N ATOM 545 CA ARG A 35 4.214 10.224 -5.079 1.00 22.33 C ATOM 546 C ARG A 35 4.531 9.495 -6.381 1.00 71.42 C ATOM 547 O ARG A 35 4.384 10.049 -7.471 1.00 54.04 O ATOM 548 CB ARG A 35 5.525 10.579 -4.378 1.00 22.04 C ATOM 549 CG ARG A 35 6.384 11.560 -5.154 1.00 51.11 C ATOM 550 CD ARG A 35 7.850 11.168 -5.117 1.00 25.01 C ATOM 551 NE ARG A 35 8.138 10.014 -5.976 1.00 71.03 N ATOM 552 CZ ARG A 35 9.128 9.991 -6.868 1.00 3.24 C ATOM 553 NH1 ARG A 35 9.952 11.030 -6.968 1.00 4.52 N ATOM 554 NH2 ARG A 35 9.310 8.927 -7.644 1.00 40.11 N ATOM 0 H ARG A 35 3.786 9.227 -3.286 1.00 33.51 H new ATOM 0 HA ARG A 35 3.658 11.134 -5.305 1.00 22.33 H new ATOM 0 HB2 ARG A 35 5.300 11.002 -3.399 1.00 22.04 H new ATOM 0 HB3 ARG A 35 6.095 9.666 -4.208 1.00 22.04 H new ATOM 0 HG2 ARG A 35 6.044 11.603 -6.189 1.00 51.11 H new ATOM 0 HG3 ARG A 35 6.263 12.560 -4.737 1.00 51.11 H new ATOM 0 HD2 ARG A 35 8.459 12.015 -5.434 1.00 25.01 H new ATOM 0 HD3 ARG A 35 8.136 10.935 -4.091 1.00 25.01 H new ATOM 0 HE ARG A 35 7.550 9.186 -5.886 1.00 71.03 H new ATOM 0 HH11 ARG A 35 9.825 11.841 -6.363 1.00 4.52 H new ATOM 0 HH12 ARG A 35 10.711 11.015 -7.650 1.00 4.52 H new ATOM 0 HH21 ARG A 35 8.690 8.122 -7.559 1.00 40.11 H new ATOM 0 HH22 ARG A 35 10.070 8.916 -8.325 1.00 40.11 H new ATOM 568 N ASP A 36 4.958 8.248 -6.256 1.00 53.24 N ATOM 569 CA ASP A 36 5.384 7.475 -7.413 1.00 12.24 C ATOM 570 C ASP A 36 4.191 7.131 -8.293 1.00 62.11 C ATOM 571 O ASP A 36 4.285 7.142 -9.523 1.00 24.14 O ATOM 572 CB ASP A 36 6.094 6.201 -6.965 1.00 61.54 C ATOM 573 CG ASP A 36 7.210 5.807 -7.909 1.00 74.15 C ATOM 574 OD1 ASP A 36 8.258 6.486 -7.890 1.00 13.23 O ATOM 575 OD2 ASP A 36 7.050 4.834 -8.671 1.00 73.14 O ATOM 0 H ASP A 36 5.019 7.750 -5.368 1.00 53.24 H new ATOM 0 HA ASP A 36 6.081 8.079 -7.995 1.00 12.24 H new ATOM 0 HB2 ASP A 36 6.501 6.346 -5.964 1.00 61.54 H new ATOM 0 HB3 ASP A 36 5.371 5.388 -6.900 1.00 61.54 H new ATOM 580 N ASP A 37 3.058 6.855 -7.657 1.00 1.31 N ATOM 581 CA ASP A 37 1.833 6.533 -8.379 1.00 11.34 C ATOM 582 C ASP A 37 1.343 7.734 -9.182 1.00 11.05 C ATOM 583 O ASP A 37 0.756 7.579 -10.246 1.00 73.14 O ATOM 584 CB ASP A 37 0.739 6.055 -7.427 1.00 0.04 C ATOM 585 CG ASP A 37 -0.555 5.753 -8.160 1.00 52.10 C ATOM 586 OD1 ASP A 37 -0.578 4.791 -8.963 1.00 63.55 O ATOM 587 OD2 ASP A 37 -1.544 6.481 -7.944 1.00 41.05 O ATOM 0 H ASP A 37 2.963 6.848 -6.642 1.00 1.31 H new ATOM 0 HA ASP A 37 2.063 5.722 -9.070 1.00 11.34 H new ATOM 0 HB2 ASP A 37 1.078 5.160 -6.904 1.00 0.04 H new ATOM 0 HB3 ASP A 37 0.558 6.818 -6.669 1.00 0.04 H new ATOM 592 N LYS A 38 1.595 8.936 -8.683 1.00 44.05 N ATOM 593 CA LYS A 38 1.233 10.142 -9.419 1.00 11.44 C ATOM 594 C LYS A 38 2.055 10.260 -10.699 1.00 21.14 C ATOM 595 O LYS A 38 1.619 10.867 -11.675 1.00 2.34 O ATOM 596 CB LYS A 38 1.437 11.390 -8.561 1.00 52.54 C ATOM 597 CG LYS A 38 0.562 11.418 -7.322 1.00 55.32 C ATOM 598 CD LYS A 38 0.749 12.699 -6.531 1.00 25.12 C ATOM 599 CE LYS A 38 0.185 13.904 -7.265 1.00 3.43 C ATOM 600 NZ LYS A 38 0.273 15.138 -6.444 1.00 55.33 N ATOM 0 H LYS A 38 2.043 9.103 -7.782 1.00 44.05 H new ATOM 0 HA LYS A 38 0.177 10.065 -9.680 1.00 11.44 H new ATOM 0 HB2 LYS A 38 2.483 11.448 -8.260 1.00 52.54 H new ATOM 0 HB3 LYS A 38 1.229 12.274 -9.164 1.00 52.54 H new ATOM 0 HG2 LYS A 38 -0.484 11.320 -7.613 1.00 55.32 H new ATOM 0 HG3 LYS A 38 0.799 10.562 -6.690 1.00 55.32 H new ATOM 0 HD2 LYS A 38 0.260 12.602 -5.562 1.00 25.12 H new ATOM 0 HD3 LYS A 38 1.810 12.855 -6.338 1.00 25.12 H new ATOM 0 HE2 LYS A 38 0.729 14.049 -8.199 1.00 3.43 H new ATOM 0 HE3 LYS A 38 -0.856 13.715 -7.528 1.00 3.43 H new ATOM 0 HZ1 LYS A 38 -0.121 15.939 -6.978 1.00 55.33 H new ATOM 0 HZ2 LYS A 38 -0.267 15.009 -5.564 1.00 55.33 H new ATOM 0 HZ3 LYS A 38 1.269 15.332 -6.214 1.00 55.33 H new ATOM 614 N SER A 39 3.242 9.671 -10.690 1.00 73.03 N ATOM 615 CA SER A 39 4.125 9.727 -11.841 1.00 41.53 C ATOM 616 C SER A 39 3.835 8.582 -12.816 1.00 61.30 C ATOM 617 O SER A 39 3.706 8.801 -14.023 1.00 63.43 O ATOM 618 CB SER A 39 5.583 9.677 -11.376 1.00 45.24 C ATOM 619 OG SER A 39 5.834 10.672 -10.394 1.00 64.40 O ATOM 0 H SER A 39 3.614 9.149 -9.897 1.00 73.03 H new ATOM 0 HA SER A 39 3.948 10.665 -12.368 1.00 41.53 H new ATOM 0 HB2 SER A 39 5.805 8.692 -10.967 1.00 45.24 H new ATOM 0 HB3 SER A 39 6.246 9.825 -12.228 1.00 45.24 H new ATOM 0 HG SER A 39 5.379 10.431 -9.560 1.00 64.40 H new ATOM 625 N ALA A 40 3.717 7.368 -12.288 1.00 13.44 N ATOM 626 CA ALA A 40 3.545 6.181 -13.121 1.00 60.24 C ATOM 627 C ALA A 40 2.072 5.886 -13.409 1.00 54.31 C ATOM 628 O ALA A 40 1.742 5.342 -14.464 1.00 51.41 O ATOM 629 CB ALA A 40 4.202 4.981 -12.455 1.00 33.34 C ATOM 0 H ALA A 40 3.737 7.179 -11.286 1.00 13.44 H new ATOM 0 HA ALA A 40 4.028 6.378 -14.078 1.00 60.24 H new ATOM 0 HB1 ALA A 40 4.070 4.099 -13.082 1.00 33.34 H new ATOM 0 HB2 ALA A 40 5.266 5.176 -12.323 1.00 33.34 H new ATOM 0 HB3 ALA A 40 3.741 4.807 -11.483 1.00 33.34 H new ATOM 635 N ASN A 41 1.199 6.256 -12.474 1.00 13.43 N ATOM 636 CA ASN A 41 -0.238 5.987 -12.582 1.00 12.33 C ATOM 637 C ASN A 41 -0.495 4.486 -12.635 1.00 31.23 C ATOM 638 O ASN A 41 -1.080 3.968 -13.589 1.00 31.22 O ATOM 639 CB ASN A 41 -0.843 6.686 -13.808 1.00 61.02 C ATOM 640 CG ASN A 41 -0.765 8.203 -13.727 1.00 31.15 C ATOM 641 OD1 ASN A 41 -0.834 8.746 -12.520 1.00 54.50 O flip ATOM 642 ND2 ASN A 41 -0.640 8.883 -14.747 1.00 10.34 N flip ATOM 0 H ASN A 41 1.464 6.749 -11.622 1.00 13.43 H new ATOM 0 HA ASN A 41 -0.726 6.391 -11.695 1.00 12.33 H new ATOM 0 HB2 ASN A 41 -0.323 6.349 -14.705 1.00 61.02 H new ATOM 0 HB3 ASN A 41 -1.886 6.387 -13.912 1.00 61.02 H new ATOM 0 HD21 ASN A 41 -0.590 8.430 -15.659 1.00 10.34 H new ATOM 0 HD22 ASN A 41 -0.586 9.899 -14.679 1.00 10.34 H new ATOM 649 N LEU A 42 -0.031 3.794 -11.602 1.00 72.52 N ATOM 650 CA LEU A 42 -0.137 2.347 -11.531 1.00 35.43 C ATOM 651 C LEU A 42 -1.508 1.917 -11.032 1.00 11.05 C ATOM 652 O LEU A 42 -2.138 1.025 -11.598 1.00 73.03 O ATOM 653 CB LEU A 42 0.943 1.784 -10.606 1.00 63.33 C ATOM 654 CG LEU A 42 2.386 2.038 -11.050 1.00 4.34 C ATOM 655 CD1 LEU A 42 3.367 1.477 -10.031 1.00 64.31 C ATOM 656 CD2 LEU A 42 2.637 1.428 -12.422 1.00 52.51 C ATOM 0 H LEU A 42 0.426 4.219 -10.796 1.00 72.52 H new ATOM 0 HA LEU A 42 0.002 1.954 -12.538 1.00 35.43 H new ATOM 0 HB2 LEU A 42 0.806 2.212 -9.613 1.00 63.33 H new ATOM 0 HB3 LEU A 42 0.793 0.708 -10.513 1.00 63.33 H new ATOM 0 HG LEU A 42 2.539 3.115 -11.117 1.00 4.34 H new ATOM 0 HD11 LEU A 42 4.387 1.668 -10.365 1.00 64.31 H new ATOM 0 HD12 LEU A 42 3.205 1.958 -9.067 1.00 64.31 H new ATOM 0 HD13 LEU A 42 3.213 0.403 -9.931 1.00 64.31 H new ATOM 0 HD21 LEU A 42 3.668 1.618 -12.722 1.00 52.51 H new ATOM 0 HD22 LEU A 42 2.464 0.353 -12.379 1.00 52.51 H new ATOM 0 HD23 LEU A 42 1.959 1.876 -13.149 1.00 52.51 H new ATOM 668 N PHE A 43 -1.960 2.555 -9.963 1.00 71.43 N ATOM 669 CA PHE A 43 -3.191 2.155 -9.305 1.00 70.45 C ATOM 670 C PHE A 43 -4.366 2.981 -9.806 1.00 13.04 C ATOM 671 O PHE A 43 -4.344 4.213 -9.743 1.00 30.12 O ATOM 672 CB PHE A 43 -3.051 2.309 -7.791 1.00 15.34 C ATOM 673 CG PHE A 43 -1.868 1.582 -7.216 1.00 42.23 C ATOM 674 CD1 PHE A 43 -1.919 0.218 -6.996 1.00 41.13 C ATOM 675 CD2 PHE A 43 -0.709 2.268 -6.884 1.00 53.21 C ATOM 676 CE1 PHE A 43 -0.838 -0.451 -6.457 1.00 72.11 C ATOM 677 CE2 PHE A 43 0.377 1.603 -6.347 1.00 34.00 C ATOM 678 CZ PHE A 43 0.312 0.243 -6.132 1.00 33.32 C ATOM 0 H PHE A 43 -1.491 3.353 -9.534 1.00 71.43 H new ATOM 0 HA PHE A 43 -3.381 1.108 -9.542 1.00 70.45 H new ATOM 0 HB2 PHE A 43 -2.968 3.368 -7.549 1.00 15.34 H new ATOM 0 HB3 PHE A 43 -3.959 1.943 -7.312 1.00 15.34 H new ATOM 0 HD1 PHE A 43 -2.814 -0.330 -7.249 1.00 41.13 H new ATOM 0 HD2 PHE A 43 -0.655 3.334 -7.047 1.00 53.21 H new ATOM 0 HE1 PHE A 43 -0.891 -1.517 -6.289 1.00 72.11 H new ATOM 0 HE2 PHE A 43 1.275 2.148 -6.096 1.00 34.00 H new ATOM 0 HZ PHE A 43 1.158 -0.279 -5.710 1.00 33.32 H new ATOM 688 N GLU A 44 -5.382 2.301 -10.321 1.00 34.33 N ATOM 689 CA GLU A 44 -6.590 2.972 -10.770 1.00 13.52 C ATOM 690 C GLU A 44 -7.384 3.467 -9.565 1.00 2.33 C ATOM 691 O GLU A 44 -8.039 4.510 -9.620 1.00 63.11 O ATOM 692 CB GLU A 44 -7.434 2.046 -11.660 1.00 71.21 C ATOM 693 CG GLU A 44 -7.853 0.750 -10.990 1.00 13.03 C ATOM 694 CD GLU A 44 -8.594 -0.178 -11.927 1.00 3.52 C ATOM 695 OE1 GLU A 44 -9.754 0.126 -12.281 1.00 14.11 O ATOM 696 OE2 GLU A 44 -8.023 -1.216 -12.321 1.00 72.14 O ATOM 0 H GLU A 44 -5.392 1.288 -10.437 1.00 34.33 H new ATOM 0 HA GLU A 44 -6.312 3.834 -11.376 1.00 13.52 H new ATOM 0 HB2 GLU A 44 -8.328 2.583 -11.979 1.00 71.21 H new ATOM 0 HB3 GLU A 44 -6.866 1.810 -12.560 1.00 71.21 H new ATOM 0 HG2 GLU A 44 -6.969 0.242 -10.606 1.00 13.03 H new ATOM 0 HG3 GLU A 44 -8.487 0.977 -10.133 1.00 13.03 H new ATOM 703 N ALA A 45 -7.332 2.703 -8.479 1.00 24.22 N ATOM 704 CA ALA A 45 -7.922 3.124 -7.219 1.00 20.25 C ATOM 705 C ALA A 45 -6.992 2.785 -6.059 1.00 51.44 C ATOM 706 O ALA A 45 -7.145 1.747 -5.417 1.00 70.32 O ATOM 707 CB ALA A 45 -9.284 2.474 -7.021 1.00 72.40 C ATOM 0 H ALA A 45 -6.885 1.787 -8.449 1.00 24.22 H new ATOM 0 HA ALA A 45 -8.061 4.205 -7.247 1.00 20.25 H new ATOM 0 HB1 ALA A 45 -9.709 2.802 -6.072 1.00 72.40 H new ATOM 0 HB2 ALA A 45 -9.948 2.764 -7.836 1.00 72.40 H new ATOM 0 HB3 ALA A 45 -9.172 1.390 -7.013 1.00 72.40 H new ATOM 713 N LEU A 46 -6.029 3.664 -5.789 1.00 61.51 N ATOM 714 CA LEU A 46 -5.025 3.417 -4.751 1.00 42.10 C ATOM 715 C LEU A 46 -5.669 3.279 -3.374 1.00 61.04 C ATOM 716 O LEU A 46 -5.291 2.410 -2.586 1.00 35.53 O ATOM 717 CB LEU A 46 -3.975 4.533 -4.740 1.00 73.03 C ATOM 718 CG LEU A 46 -2.885 4.400 -3.669 1.00 3.32 C ATOM 719 CD1 LEU A 46 -2.171 3.060 -3.782 1.00 42.45 C ATOM 720 CD2 LEU A 46 -1.888 5.539 -3.783 1.00 44.31 C ATOM 0 H LEU A 46 -5.921 4.555 -6.274 1.00 61.51 H new ATOM 0 HA LEU A 46 -4.532 2.474 -4.986 1.00 42.10 H new ATOM 0 HB2 LEU A 46 -3.497 4.568 -5.719 1.00 73.03 H new ATOM 0 HB3 LEU A 46 -4.484 5.486 -4.600 1.00 73.03 H new ATOM 0 HG LEU A 46 -3.364 4.450 -2.691 1.00 3.32 H new ATOM 0 HD11 LEU A 46 -1.403 2.991 -3.012 1.00 42.45 H new ATOM 0 HD12 LEU A 46 -2.891 2.252 -3.651 1.00 42.45 H new ATOM 0 HD13 LEU A 46 -1.707 2.977 -4.765 1.00 42.45 H new ATOM 0 HD21 LEU A 46 -1.121 5.430 -3.016 1.00 44.31 H new ATOM 0 HD22 LEU A 46 -1.422 5.517 -4.768 1.00 44.31 H new ATOM 0 HD23 LEU A 46 -2.404 6.489 -3.647 1.00 44.31 H new ATOM 732 N VAL A 47 -6.643 4.132 -3.085 1.00 30.42 N ATOM 733 CA VAL A 47 -7.380 4.042 -1.829 1.00 74.30 C ATOM 734 C VAL A 47 -8.097 2.695 -1.731 1.00 31.15 C ATOM 735 O VAL A 47 -8.167 2.094 -0.660 1.00 11.14 O ATOM 736 CB VAL A 47 -8.387 5.208 -1.667 1.00 73.10 C ATOM 737 CG1 VAL A 47 -9.397 5.233 -2.807 1.00 43.20 C ATOM 738 CG2 VAL A 47 -9.098 5.131 -0.322 1.00 45.44 C ATOM 0 H VAL A 47 -6.941 4.890 -3.699 1.00 30.42 H new ATOM 0 HA VAL A 47 -6.659 4.120 -1.016 1.00 74.30 H new ATOM 0 HB VAL A 47 -7.820 6.138 -1.702 1.00 73.10 H new ATOM 0 HG11 VAL A 47 -10.089 6.063 -2.662 1.00 43.20 H new ATOM 0 HG12 VAL A 47 -8.873 5.358 -3.755 1.00 43.20 H new ATOM 0 HG13 VAL A 47 -9.953 4.296 -2.821 1.00 43.20 H new ATOM 0 HG21 VAL A 47 -9.799 5.961 -0.233 1.00 45.44 H new ATOM 0 HG22 VAL A 47 -9.640 4.188 -0.251 1.00 45.44 H new ATOM 0 HG23 VAL A 47 -8.364 5.189 0.482 1.00 45.44 H new ATOM 748 N GLY A 48 -8.587 2.209 -2.866 1.00 3.01 N ATOM 749 CA GLY A 48 -9.230 0.914 -2.905 1.00 12.44 C ATOM 750 C GLY A 48 -8.237 -0.208 -2.701 1.00 5.33 C ATOM 751 O GLY A 48 -8.536 -1.198 -2.035 1.00 41.13 O ATOM 0 H GLY A 48 -8.549 2.694 -3.763 1.00 3.01 H new ATOM 0 HA2 GLY A 48 -9.998 0.865 -2.133 1.00 12.44 H new ATOM 0 HA3 GLY A 48 -9.733 0.786 -3.864 1.00 12.44 H new ATOM 755 N THR A 49 -7.051 -0.043 -3.270 1.00 25.52 N ATOM 756 CA THR A 49 -5.967 -0.992 -3.086 1.00 64.54 C ATOM 757 C THR A 49 -5.630 -1.127 -1.599 1.00 34.53 C ATOM 758 O THR A 49 -5.480 -2.236 -1.079 1.00 62.33 O ATOM 759 CB THR A 49 -4.707 -0.535 -3.847 1.00 10.12 C ATOM 760 OG1 THR A 49 -5.052 -0.088 -5.163 1.00 14.21 O ATOM 761 CG2 THR A 49 -3.698 -1.661 -3.952 1.00 13.55 C ATOM 0 H THR A 49 -6.816 0.749 -3.869 1.00 25.52 H new ATOM 0 HA THR A 49 -6.293 -1.955 -3.478 1.00 64.54 H new ATOM 0 HB THR A 49 -4.263 0.288 -3.287 1.00 10.12 H new ATOM 0 HG1 THR A 49 -4.237 0.012 -5.699 1.00 14.21 H new ATOM 0 HG21 THR A 49 -2.819 -1.312 -4.493 1.00 13.55 H new ATOM 0 HG22 THR A 49 -3.405 -1.982 -2.952 1.00 13.55 H new ATOM 0 HG23 THR A 49 -4.144 -2.500 -4.486 1.00 13.55 H new ATOM 769 N LEU A 50 -5.533 0.017 -0.926 1.00 72.32 N ATOM 770 CA LEU A 50 -5.252 0.059 0.506 1.00 32.34 C ATOM 771 C LEU A 50 -6.349 -0.647 1.294 1.00 10.52 C ATOM 772 O LEU A 50 -6.072 -1.518 2.122 1.00 71.42 O ATOM 773 CB LEU A 50 -5.133 1.510 0.982 1.00 71.14 C ATOM 774 CG LEU A 50 -3.956 2.305 0.417 1.00 1.12 C ATOM 775 CD1 LEU A 50 -3.938 3.706 1.012 1.00 42.03 C ATOM 776 CD2 LEU A 50 -2.641 1.587 0.690 1.00 60.03 C ATOM 0 H LEU A 50 -5.646 0.935 -1.355 1.00 72.32 H new ATOM 0 HA LEU A 50 -4.307 -0.456 0.679 1.00 32.34 H new ATOM 0 HB2 LEU A 50 -6.055 2.032 0.726 1.00 71.14 H new ATOM 0 HB3 LEU A 50 -5.058 1.510 2.069 1.00 71.14 H new ATOM 0 HG LEU A 50 -4.077 2.387 -0.663 1.00 1.12 H new ATOM 0 HD11 LEU A 50 -3.096 4.264 0.603 1.00 42.03 H new ATOM 0 HD12 LEU A 50 -4.868 4.218 0.764 1.00 42.03 H new ATOM 0 HD13 LEU A 50 -3.838 3.640 2.095 1.00 42.03 H new ATOM 0 HD21 LEU A 50 -1.816 2.170 0.280 1.00 60.03 H new ATOM 0 HD22 LEU A 50 -2.505 1.473 1.765 1.00 60.03 H new ATOM 0 HD23 LEU A 50 -2.659 0.603 0.221 1.00 60.03 H new ATOM 788 N LYS A 51 -7.592 -0.265 1.024 1.00 51.04 N ATOM 789 CA LYS A 51 -8.751 -0.851 1.690 1.00 45.14 C ATOM 790 C LYS A 51 -8.781 -2.363 1.515 1.00 72.33 C ATOM 791 O LYS A 51 -8.955 -3.110 2.482 1.00 63.15 O ATOM 792 CB LYS A 51 -10.032 -0.241 1.126 1.00 12.51 C ATOM 793 CG LYS A 51 -10.249 1.207 1.530 1.00 31.44 C ATOM 794 CD LYS A 51 -10.775 1.311 2.950 1.00 64.41 C ATOM 795 CE LYS A 51 -12.141 0.659 3.069 1.00 70.31 C ATOM 796 NZ LYS A 51 -12.671 0.717 4.454 1.00 43.11 N ATOM 0 H LYS A 51 -7.825 0.456 0.341 1.00 51.04 H new ATOM 0 HA LYS A 51 -8.678 -0.633 2.756 1.00 45.14 H new ATOM 0 HB2 LYS A 51 -10.006 -0.305 0.038 1.00 12.51 H new ATOM 0 HB3 LYS A 51 -10.884 -0.834 1.460 1.00 12.51 H new ATOM 0 HG2 LYS A 51 -9.310 1.754 1.447 1.00 31.44 H new ATOM 0 HG3 LYS A 51 -10.954 1.676 0.844 1.00 31.44 H new ATOM 0 HD2 LYS A 51 -10.077 0.832 3.637 1.00 64.41 H new ATOM 0 HD3 LYS A 51 -10.841 2.359 3.242 1.00 64.41 H new ATOM 0 HE2 LYS A 51 -12.838 1.155 2.394 1.00 70.31 H new ATOM 0 HE3 LYS A 51 -12.074 -0.381 2.751 1.00 70.31 H new ATOM 0 HZ1 LYS A 51 -13.605 0.260 4.488 1.00 43.11 H new ATOM 0 HZ2 LYS A 51 -12.020 0.222 5.096 1.00 43.11 H new ATOM 0 HZ3 LYS A 51 -12.760 1.710 4.750 1.00 43.11 H new ATOM 810 N ALA A 52 -8.600 -2.804 0.277 1.00 50.34 N ATOM 811 CA ALA A 52 -8.618 -4.221 -0.051 1.00 61.15 C ATOM 812 C ALA A 52 -7.576 -4.988 0.746 1.00 52.33 C ATOM 813 O ALA A 52 -7.893 -5.963 1.423 1.00 24.43 O ATOM 814 CB ALA A 52 -8.371 -4.419 -1.534 1.00 45.32 C ATOM 0 H ALA A 52 -8.438 -2.192 -0.523 1.00 50.34 H new ATOM 0 HA ALA A 52 -9.603 -4.609 0.210 1.00 61.15 H new ATOM 0 HB1 ALA A 52 -8.387 -5.484 -1.767 1.00 45.32 H new ATOM 0 HB2 ALA A 52 -9.150 -3.912 -2.103 1.00 45.32 H new ATOM 0 HB3 ALA A 52 -7.399 -4.004 -1.799 1.00 45.32 H new ATOM 820 N ALA A 53 -6.333 -4.530 0.674 1.00 1.50 N ATOM 821 CA ALA A 53 -5.225 -5.229 1.301 1.00 12.10 C ATOM 822 C ALA A 53 -5.310 -5.182 2.822 1.00 12.24 C ATOM 823 O ALA A 53 -5.002 -6.165 3.493 1.00 74.40 O ATOM 824 CB ALA A 53 -3.905 -4.652 0.821 1.00 44.45 C ATOM 0 H ALA A 53 -6.069 -3.674 0.185 1.00 1.50 H new ATOM 0 HA ALA A 53 -5.284 -6.277 1.007 1.00 12.10 H new ATOM 0 HB1 ALA A 53 -3.081 -5.183 1.297 1.00 44.45 H new ATOM 0 HB2 ALA A 53 -3.831 -4.763 -0.261 1.00 44.45 H new ATOM 0 HB3 ALA A 53 -3.854 -3.595 1.081 1.00 44.45 H new ATOM 830 N LYS A 54 -5.735 -4.049 3.365 1.00 44.05 N ATOM 831 CA LYS A 54 -5.838 -3.902 4.813 1.00 75.42 C ATOM 832 C LYS A 54 -6.864 -4.879 5.372 1.00 54.22 C ATOM 833 O LYS A 54 -6.605 -5.577 6.349 1.00 61.12 O ATOM 834 CB LYS A 54 -6.228 -2.474 5.200 1.00 11.02 C ATOM 835 CG LYS A 54 -6.223 -2.242 6.705 1.00 53.12 C ATOM 836 CD LYS A 54 -6.823 -0.897 7.077 1.00 63.42 C ATOM 837 CE LYS A 54 -6.810 -0.685 8.583 1.00 32.03 C ATOM 838 NZ LYS A 54 -7.576 0.521 8.986 1.00 75.03 N ATOM 0 H LYS A 54 -6.012 -3.225 2.832 1.00 44.05 H new ATOM 0 HA LYS A 54 -4.858 -4.120 5.238 1.00 75.42 H new ATOM 0 HB2 LYS A 54 -5.538 -1.774 4.728 1.00 11.02 H new ATOM 0 HB3 LYS A 54 -7.221 -2.256 4.808 1.00 11.02 H new ATOM 0 HG2 LYS A 54 -6.784 -3.037 7.196 1.00 53.12 H new ATOM 0 HG3 LYS A 54 -5.200 -2.297 7.077 1.00 53.12 H new ATOM 0 HD2 LYS A 54 -6.262 -0.099 6.590 1.00 63.42 H new ATOM 0 HD3 LYS A 54 -7.847 -0.838 6.708 1.00 63.42 H new ATOM 0 HE2 LYS A 54 -7.231 -1.562 9.075 1.00 32.03 H new ATOM 0 HE3 LYS A 54 -5.780 -0.590 8.926 1.00 32.03 H new ATOM 0 HZ1 LYS A 54 -7.540 0.626 10.020 1.00 75.03 H new ATOM 0 HZ2 LYS A 54 -7.160 1.362 8.538 1.00 75.03 H new ATOM 0 HZ3 LYS A 54 -8.566 0.421 8.683 1.00 75.03 H new ATOM 852 N ARG A 55 -8.021 -4.940 4.729 1.00 13.02 N ATOM 853 CA ARG A 55 -9.101 -5.809 5.181 1.00 35.43 C ATOM 854 C ARG A 55 -8.835 -7.264 4.811 1.00 65.33 C ATOM 855 O ARG A 55 -9.468 -8.174 5.338 1.00 64.42 O ATOM 856 CB ARG A 55 -10.436 -5.331 4.604 1.00 33.52 C ATOM 857 CG ARG A 55 -10.938 -4.056 5.267 1.00 23.52 C ATOM 858 CD ARG A 55 -11.207 -4.285 6.747 1.00 54.35 C ATOM 859 NE ARG A 55 -11.288 -3.039 7.513 1.00 5.43 N ATOM 860 CZ ARG A 55 -11.811 -2.956 8.740 1.00 53.51 C ATOM 861 NH1 ARG A 55 -12.419 -4.006 9.282 1.00 54.11 N ATOM 862 NH2 ARG A 55 -11.732 -1.821 9.417 1.00 51.14 N ATOM 0 H ARG A 55 -8.237 -4.398 3.892 1.00 13.02 H new ATOM 0 HA ARG A 55 -9.151 -5.755 6.268 1.00 35.43 H new ATOM 0 HB2 ARG A 55 -10.324 -5.159 3.533 1.00 33.52 H new ATOM 0 HB3 ARG A 55 -11.182 -6.117 4.725 1.00 33.52 H new ATOM 0 HG2 ARG A 55 -10.200 -3.263 5.146 1.00 23.52 H new ATOM 0 HG3 ARG A 55 -11.851 -3.720 4.775 1.00 23.52 H new ATOM 0 HD2 ARG A 55 -12.141 -4.836 6.860 1.00 54.35 H new ATOM 0 HD3 ARG A 55 -10.416 -4.910 7.162 1.00 54.35 H new ATOM 0 HE ARG A 55 -10.925 -2.187 7.086 1.00 5.43 H new ATOM 0 HH11 ARG A 55 -12.488 -4.880 8.761 1.00 54.11 H new ATOM 0 HH12 ARG A 55 -12.817 -3.938 10.219 1.00 54.11 H new ATOM 0 HH21 ARG A 55 -11.272 -1.011 9.002 1.00 51.14 H new ATOM 0 HH22 ARG A 55 -12.131 -1.757 10.354 1.00 51.14 H new ATOM 876 N ARG A 56 -7.889 -7.476 3.906 1.00 35.33 N ATOM 877 CA ARG A 56 -7.472 -8.807 3.521 1.00 31.53 C ATOM 878 C ARG A 56 -6.322 -9.278 4.413 1.00 20.20 C ATOM 879 O ARG A 56 -5.784 -10.371 4.229 1.00 24.41 O ATOM 880 CB ARG A 56 -7.037 -8.787 2.062 1.00 63.30 C ATOM 881 CG ARG A 56 -7.382 -10.046 1.306 1.00 30.22 C ATOM 882 CD ARG A 56 -7.037 -9.904 -0.168 1.00 13.30 C ATOM 883 NE ARG A 56 -7.379 -11.089 -0.948 1.00 11.52 N ATOM 884 CZ ARG A 56 -7.904 -11.045 -2.173 1.00 74.14 C ATOM 885 NH1 ARG A 56 -8.229 -9.880 -2.720 1.00 71.22 N ATOM 886 NH2 ARG A 56 -8.121 -12.168 -2.842 1.00 31.53 N ATOM 0 H ARG A 56 -7.393 -6.728 3.422 1.00 35.33 H new ATOM 0 HA ARG A 56 -8.304 -9.501 3.642 1.00 31.53 H new ATOM 0 HB2 ARG A 56 -7.504 -7.937 1.565 1.00 63.30 H new ATOM 0 HB3 ARG A 56 -5.959 -8.631 2.016 1.00 63.30 H new ATOM 0 HG2 ARG A 56 -6.840 -10.891 1.731 1.00 30.22 H new ATOM 0 HG3 ARG A 56 -8.445 -10.262 1.416 1.00 30.22 H new ATOM 0 HD2 ARG A 56 -7.563 -9.041 -0.578 1.00 13.30 H new ATOM 0 HD3 ARG A 56 -5.970 -9.704 -0.269 1.00 13.30 H new ATOM 0 HE ARG A 56 -7.206 -12.004 -0.532 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -8.077 -9.014 -2.203 1.00 71.22 H new ATOM 0 HH12 ARG A 56 -8.630 -9.851 -3.657 1.00 71.22 H new ATOM 0 HH21 ARG A 56 -7.886 -13.066 -2.420 1.00 31.53 H new ATOM 0 HH22 ARG A 56 -8.523 -12.134 -3.779 1.00 31.53 H new ATOM 900 N LYS A 57 -5.954 -8.420 5.370 1.00 62.25 N ATOM 901 CA LYS A 57 -4.884 -8.696 6.331 1.00 12.22 C ATOM 902 C LYS A 57 -3.535 -8.807 5.637 1.00 13.45 C ATOM 903 O LYS A 57 -2.622 -9.478 6.115 1.00 15.44 O ATOM 904 CB LYS A 57 -5.192 -9.957 7.137 1.00 22.21 C ATOM 905 CG LYS A 57 -6.427 -9.814 8.008 1.00 10.44 C ATOM 906 CD LYS A 57 -6.274 -8.672 9.001 1.00 34.24 C ATOM 907 CE LYS A 57 -7.517 -8.500 9.859 1.00 34.31 C ATOM 908 NZ LYS A 57 -7.404 -7.325 10.762 1.00 64.41 N ATOM 0 H LYS A 57 -6.394 -7.509 5.499 1.00 62.25 H new ATOM 0 HA LYS A 57 -4.830 -7.856 7.023 1.00 12.22 H new ATOM 0 HB2 LYS A 57 -5.331 -10.794 6.453 1.00 22.21 H new ATOM 0 HB3 LYS A 57 -4.335 -10.198 7.767 1.00 22.21 H new ATOM 0 HG2 LYS A 57 -7.300 -9.637 7.379 1.00 10.44 H new ATOM 0 HG3 LYS A 57 -6.605 -10.745 8.546 1.00 10.44 H new ATOM 0 HD2 LYS A 57 -5.413 -8.861 9.642 1.00 34.24 H new ATOM 0 HD3 LYS A 57 -6.073 -7.746 8.462 1.00 34.24 H new ATOM 0 HE2 LYS A 57 -8.389 -8.382 9.216 1.00 34.31 H new ATOM 0 HE3 LYS A 57 -7.677 -9.400 10.452 1.00 34.31 H new ATOM 0 HZ1 LYS A 57 -8.270 -7.240 11.331 1.00 64.41 H new ATOM 0 HZ2 LYS A 57 -6.586 -7.449 11.392 1.00 64.41 H new ATOM 0 HZ3 LYS A 57 -7.276 -6.463 10.195 1.00 64.41 H new ATOM 922 N ILE A 58 -3.416 -8.108 4.522 1.00 30.34 N ATOM 923 CA ILE A 58 -2.186 -8.071 3.757 1.00 33.04 C ATOM 924 C ILE A 58 -1.325 -6.899 4.202 1.00 62.32 C ATOM 925 O ILE A 58 -0.103 -6.995 4.254 1.00 12.03 O ATOM 926 CB ILE A 58 -2.485 -7.966 2.249 1.00 1.51 C ATOM 927 CG1 ILE A 58 -3.313 -9.170 1.804 1.00 71.41 C ATOM 928 CG2 ILE A 58 -1.197 -7.873 1.442 1.00 4.14 C ATOM 929 CD1 ILE A 58 -3.788 -9.083 0.376 1.00 22.11 C ATOM 0 H ILE A 58 -4.171 -7.550 4.123 1.00 30.34 H new ATOM 0 HA ILE A 58 -1.642 -8.998 3.937 1.00 33.04 H new ATOM 0 HB ILE A 58 -3.055 -7.055 2.069 1.00 1.51 H new ATOM 0 HG12 ILE A 58 -2.717 -10.075 1.925 1.00 71.41 H new ATOM 0 HG13 ILE A 58 -4.178 -9.268 2.460 1.00 71.41 H new ATOM 0 HG21 ILE A 58 -1.437 -7.800 0.381 1.00 4.14 H new ATOM 0 HG22 ILE A 58 -0.638 -6.989 1.749 1.00 4.14 H new ATOM 0 HG23 ILE A 58 -0.593 -8.763 1.617 1.00 4.14 H new ATOM 0 HD11 ILE A 58 -4.369 -9.972 0.131 1.00 22.11 H new ATOM 0 HD12 ILE A 58 -4.411 -8.197 0.253 1.00 22.11 H new ATOM 0 HD13 ILE A 58 -2.928 -9.017 -0.290 1.00 22.11 H new ATOM 941 N VAL A 59 -1.970 -5.792 4.538 1.00 54.42 N ATOM 942 CA VAL A 59 -1.268 -4.618 5.037 1.00 65.21 C ATOM 943 C VAL A 59 -2.029 -4.020 6.207 1.00 22.24 C ATOM 944 O VAL A 59 -3.203 -4.326 6.416 1.00 24.12 O ATOM 945 CB VAL A 59 -1.087 -3.529 3.955 1.00 4.35 C ATOM 946 CG1 VAL A 59 -0.284 -4.053 2.775 1.00 64.55 C ATOM 947 CG2 VAL A 59 -2.434 -3.001 3.492 1.00 53.22 C ATOM 0 H VAL A 59 -2.982 -5.682 4.474 1.00 54.42 H new ATOM 0 HA VAL A 59 -0.278 -4.952 5.348 1.00 65.21 H new ATOM 0 HB VAL A 59 -0.529 -2.706 4.402 1.00 4.35 H new ATOM 0 HG11 VAL A 59 -0.174 -3.264 2.031 1.00 64.55 H new ATOM 0 HG12 VAL A 59 0.701 -4.369 3.117 1.00 64.55 H new ATOM 0 HG13 VAL A 59 -0.803 -4.902 2.330 1.00 64.55 H new ATOM 0 HG21 VAL A 59 -2.283 -2.236 2.731 1.00 53.22 H new ATOM 0 HG22 VAL A 59 -3.021 -3.819 3.073 1.00 53.22 H new ATOM 0 HG23 VAL A 59 -2.966 -2.569 4.340 1.00 53.22 H new ATOM 957 N THR A 60 -1.361 -3.179 6.970 1.00 10.51 N ATOM 958 CA THR A 60 -1.997 -2.486 8.068 1.00 33.13 C ATOM 959 C THR A 60 -1.498 -1.050 8.131 1.00 60.23 C ATOM 960 O THR A 60 -0.348 -0.762 7.785 1.00 24.13 O ATOM 961 CB THR A 60 -1.731 -3.192 9.417 1.00 52.13 C ATOM 962 OG1 THR A 60 -2.551 -2.623 10.448 1.00 42.03 O ATOM 963 CG2 THR A 60 -0.265 -3.082 9.816 1.00 24.52 C ATOM 0 H THR A 60 -0.373 -2.959 6.848 1.00 10.51 H new ATOM 0 HA THR A 60 -3.072 -2.495 7.891 1.00 33.13 H new ATOM 0 HB THR A 60 -1.980 -4.246 9.294 1.00 52.13 H new ATOM 0 HG1 THR A 60 -2.374 -3.080 11.296 1.00 42.03 H new ATOM 0 HG21 THR A 60 -0.108 -3.588 10.769 1.00 24.52 H new ATOM 0 HG22 THR A 60 0.356 -3.548 9.051 1.00 24.52 H new ATOM 0 HG23 THR A 60 0.008 -2.031 9.914 1.00 24.52 H new ATOM 971 N TYR A 61 -2.379 -0.159 8.541 1.00 62.53 N ATOM 972 CA TYR A 61 -2.044 1.242 8.702 1.00 50.31 C ATOM 973 C TYR A 61 -3.149 1.940 9.484 1.00 31.22 C ATOM 974 O TYR A 61 -4.315 1.546 9.391 1.00 0.33 O ATOM 975 CB TYR A 61 -1.825 1.919 7.336 1.00 65.03 C ATOM 976 CG TYR A 61 -3.036 1.916 6.422 1.00 41.44 C ATOM 977 CD1 TYR A 61 -3.430 0.762 5.752 1.00 64.10 C ATOM 978 CD2 TYR A 61 -3.776 3.072 6.222 1.00 62.42 C ATOM 979 CE1 TYR A 61 -4.529 0.766 4.914 1.00 62.54 C ATOM 980 CE2 TYR A 61 -4.875 3.081 5.386 1.00 24.42 C ATOM 981 CZ TYR A 61 -5.248 1.927 4.737 1.00 71.05 C ATOM 982 OH TYR A 61 -6.341 1.940 3.905 1.00 24.11 O ATOM 0 H TYR A 61 -3.346 -0.386 8.772 1.00 62.53 H new ATOM 0 HA TYR A 61 -1.110 1.321 9.258 1.00 50.31 H new ATOM 0 HB2 TYR A 61 -1.516 2.951 7.503 1.00 65.03 H new ATOM 0 HB3 TYR A 61 -1.002 1.419 6.826 1.00 65.03 H new ATOM 0 HD1 TYR A 61 -2.869 -0.150 5.889 1.00 64.10 H new ATOM 0 HD2 TYR A 61 -3.488 3.981 6.729 1.00 62.42 H new ATOM 0 HE1 TYR A 61 -4.823 -0.137 4.400 1.00 62.54 H new ATOM 0 HE2 TYR A 61 -5.439 3.990 5.242 1.00 24.42 H new ATOM 0 HH TYR A 61 -6.733 2.838 3.895 1.00 24.11 H new ATOM 992 N PRO A 62 -2.800 2.954 10.288 1.00 23.10 N ATOM 993 CA PRO A 62 -3.782 3.732 11.046 1.00 1.05 C ATOM 994 C PRO A 62 -4.812 4.385 10.130 1.00 62.45 C ATOM 995 O PRO A 62 -4.473 4.880 9.051 1.00 74.52 O ATOM 996 CB PRO A 62 -2.939 4.803 11.747 1.00 63.44 C ATOM 997 CG PRO A 62 -1.559 4.241 11.778 1.00 70.33 C ATOM 998 CD PRO A 62 -1.425 3.410 10.535 1.00 43.14 C ATOM 0 HA PRO A 62 -4.352 3.110 11.736 1.00 1.05 H new ATOM 0 HB2 PRO A 62 -2.969 5.748 11.205 1.00 63.44 H new ATOM 0 HB3 PRO A 62 -3.308 5.001 12.753 1.00 63.44 H new ATOM 0 HG2 PRO A 62 -0.814 5.036 11.798 1.00 70.33 H new ATOM 0 HG3 PRO A 62 -1.404 3.636 12.671 1.00 70.33 H new ATOM 0 HD2 PRO A 62 -1.038 3.994 9.700 1.00 43.14 H new ATOM 0 HD3 PRO A 62 -0.743 2.573 10.682 1.00 43.14 H new ATOM 1125 N HIS A 71 -1.913 11.702 6.096 1.00 51.14 N ATOM 1126 CA HIS A 71 -1.663 10.311 5.754 1.00 72.40 C ATOM 1127 C HIS A 71 -0.300 10.140 5.084 1.00 73.12 C ATOM 1128 O HIS A 71 0.218 9.029 5.006 1.00 33.10 O ATOM 1129 CB HIS A 71 -2.777 9.797 4.837 1.00 21.45 C ATOM 1130 CG HIS A 71 -2.823 8.305 4.682 1.00 30.33 C ATOM 1131 ND1 HIS A 71 -2.331 7.312 5.461 1.00 11.13 N flip ATOM 1132 CD2 HIS A 71 -3.454 7.683 3.628 1.00 11.14 C flip ATOM 1133 CE1 HIS A 71 -2.679 6.120 4.873 1.00 33.22 C flip ATOM 1134 NE2 HIS A 71 -3.357 6.375 3.769 1.00 31.33 N flip ATOM 0 HA HIS A 71 -1.654 9.727 6.674 1.00 72.40 H new ATOM 0 HB2 HIS A 71 -3.736 10.138 5.227 1.00 21.45 H new ATOM 0 HB3 HIS A 71 -2.655 10.247 3.852 1.00 21.45 H new ATOM 0 HD2 HIS A 71 -3.951 8.188 2.813 1.00 11.14 H new ATOM 0 HE1 HIS A 71 -2.438 5.137 5.251 1.00 33.22 H new ATOM 0 HE2 HIS A 71 -3.741 5.677 3.132 1.00 31.33 H new ATOM 1143 N ASP A 72 0.278 11.242 4.616 1.00 72.13 N ATOM 1144 CA ASP A 72 1.562 11.204 3.905 1.00 60.44 C ATOM 1145 C ASP A 72 2.674 10.603 4.753 1.00 64.31 C ATOM 1146 O ASP A 72 3.520 9.862 4.251 1.00 30.10 O ATOM 1147 CB ASP A 72 1.981 12.607 3.467 1.00 71.04 C ATOM 1148 CG ASP A 72 1.469 12.973 2.092 1.00 23.50 C ATOM 1149 OD1 ASP A 72 0.304 13.396 1.983 1.00 25.32 O ATOM 1150 OD2 ASP A 72 2.243 12.866 1.117 1.00 13.53 O ATOM 0 H ASP A 72 -0.119 12.176 4.714 1.00 72.13 H new ATOM 0 HA ASP A 72 1.411 10.569 3.032 1.00 60.44 H new ATOM 0 HB2 ASP A 72 1.612 13.333 4.191 1.00 71.04 H new ATOM 0 HB3 ASP A 72 3.069 12.674 3.474 1.00 71.04 H new ATOM 1155 N ASP A 73 2.668 10.914 6.038 1.00 51.52 N ATOM 1156 CA ASP A 73 3.737 10.479 6.926 1.00 23.14 C ATOM 1157 C ASP A 73 3.398 9.141 7.580 1.00 61.13 C ATOM 1158 O ASP A 73 4.169 8.606 8.377 1.00 13.03 O ATOM 1159 CB ASP A 73 3.997 11.554 7.983 1.00 1.20 C ATOM 1160 CG ASP A 73 5.225 11.266 8.820 1.00 23.52 C ATOM 1161 OD1 ASP A 73 6.343 11.272 8.261 1.00 32.21 O ATOM 1162 OD2 ASP A 73 5.078 11.060 10.043 1.00 4.30 O ATOM 0 H ASP A 73 1.938 11.464 6.490 1.00 51.52 H new ATOM 0 HA ASP A 73 4.644 10.334 6.339 1.00 23.14 H new ATOM 0 HB2 ASP A 73 4.116 12.520 7.492 1.00 1.20 H new ATOM 0 HB3 ASP A 73 3.128 11.633 8.636 1.00 1.20 H new ATOM 1167 N VAL A 74 2.248 8.589 7.219 1.00 74.53 N ATOM 1168 CA VAL A 74 1.805 7.316 7.764 1.00 73.23 C ATOM 1169 C VAL A 74 2.493 6.159 7.051 1.00 72.13 C ATOM 1170 O VAL A 74 2.455 6.060 5.821 1.00 12.40 O ATOM 1171 CB VAL A 74 0.274 7.155 7.656 1.00 5.42 C ATOM 1172 CG1 VAL A 74 -0.156 5.760 8.085 1.00 2.02 C ATOM 1173 CG2 VAL A 74 -0.431 8.213 8.492 1.00 32.12 C ATOM 0 H VAL A 74 1.603 9.006 6.548 1.00 74.53 H new ATOM 0 HA VAL A 74 2.077 7.302 8.819 1.00 73.23 H new ATOM 0 HB VAL A 74 -0.011 7.291 6.613 1.00 5.42 H new ATOM 0 HG11 VAL A 74 -1.239 5.671 8.000 1.00 2.02 H new ATOM 0 HG12 VAL A 74 0.320 5.019 7.443 1.00 2.02 H new ATOM 0 HG13 VAL A 74 0.142 5.589 9.119 1.00 2.02 H new ATOM 0 HG21 VAL A 74 -1.510 8.086 8.405 1.00 32.12 H new ATOM 0 HG22 VAL A 74 -0.136 8.108 9.536 1.00 32.12 H new ATOM 0 HG23 VAL A 74 -0.153 9.204 8.134 1.00 32.12 H new ATOM 1183 N ASP A 75 3.129 5.304 7.837 1.00 72.30 N ATOM 1184 CA ASP A 75 3.832 4.140 7.314 1.00 11.44 C ATOM 1185 C ASP A 75 2.864 2.983 7.113 1.00 0.10 C ATOM 1186 O ASP A 75 2.213 2.537 8.058 1.00 42.12 O ATOM 1187 CB ASP A 75 4.951 3.713 8.274 1.00 74.03 C ATOM 1188 CG ASP A 75 5.959 4.814 8.537 1.00 13.10 C ATOM 1189 OD1 ASP A 75 5.747 5.611 9.478 1.00 54.31 O ATOM 1190 OD2 ASP A 75 6.968 4.897 7.805 1.00 31.43 O ATOM 0 H ASP A 75 3.173 5.396 8.852 1.00 72.30 H new ATOM 0 HA ASP A 75 4.271 4.410 6.354 1.00 11.44 H new ATOM 0 HB2 ASP A 75 4.510 3.398 9.220 1.00 74.03 H new ATOM 0 HB3 ASP A 75 5.467 2.847 7.859 1.00 74.03 H new ATOM 1195 N ILE A 76 2.756 2.518 5.878 1.00 33.12 N ATOM 1196 CA ILE A 76 1.927 1.367 5.565 1.00 61.11 C ATOM 1197 C ILE A 76 2.746 0.098 5.775 1.00 3.13 C ATOM 1198 O ILE A 76 3.759 -0.110 5.106 1.00 3.15 O ATOM 1199 CB ILE A 76 1.414 1.411 4.106 1.00 24.31 C ATOM 1200 CG1 ILE A 76 0.933 2.823 3.729 1.00 72.52 C ATOM 1201 CG2 ILE A 76 0.294 0.398 3.913 1.00 64.32 C ATOM 1202 CD1 ILE A 76 -0.205 3.347 4.576 1.00 52.40 C ATOM 0 H ILE A 76 3.235 2.923 5.074 1.00 33.12 H new ATOM 0 HA ILE A 76 1.059 1.380 6.224 1.00 61.11 H new ATOM 0 HB ILE A 76 2.242 1.152 3.446 1.00 24.31 H new ATOM 0 HG12 ILE A 76 1.774 3.512 3.807 1.00 72.52 H new ATOM 0 HG13 ILE A 76 0.620 2.819 2.685 1.00 72.52 H new ATOM 0 HG21 ILE A 76 -0.059 0.438 2.883 1.00 64.32 H new ATOM 0 HG22 ILE A 76 0.667 -0.603 4.130 1.00 64.32 H new ATOM 0 HG23 ILE A 76 -0.529 0.633 4.588 1.00 64.32 H new ATOM 0 HD11 ILE A 76 -0.478 4.347 4.240 1.00 52.40 H new ATOM 0 HD12 ILE A 76 -1.065 2.684 4.480 1.00 52.40 H new ATOM 0 HD13 ILE A 76 0.107 3.388 5.620 1.00 52.40 H new ATOM 1214 N ILE A 77 2.319 -0.733 6.716 1.00 1.52 N ATOM 1215 CA ILE A 77 3.087 -1.909 7.100 1.00 64.45 C ATOM 1216 C ILE A 77 2.529 -3.170 6.451 1.00 1.11 C ATOM 1217 O ILE A 77 1.331 -3.441 6.527 1.00 23.23 O ATOM 1218 CB ILE A 77 3.102 -2.073 8.635 1.00 2.34 C ATOM 1219 CG1 ILE A 77 3.622 -0.792 9.290 1.00 22.13 C ATOM 1220 CG2 ILE A 77 3.963 -3.262 9.036 1.00 23.21 C ATOM 1221 CD1 ILE A 77 3.591 -0.821 10.803 1.00 64.44 C ATOM 0 H ILE A 77 1.445 -0.614 7.228 1.00 1.52 H new ATOM 0 HA ILE A 77 4.108 -1.763 6.748 1.00 64.45 H new ATOM 0 HB ILE A 77 2.084 -2.257 8.979 1.00 2.34 H new ATOM 0 HG12 ILE A 77 4.646 -0.617 8.961 1.00 22.13 H new ATOM 0 HG13 ILE A 77 3.026 0.051 8.940 1.00 22.13 H new ATOM 0 HG21 ILE A 77 3.962 -3.362 10.121 1.00 23.21 H new ATOM 0 HG22 ILE A 77 3.561 -4.170 8.587 1.00 23.21 H new ATOM 0 HG23 ILE A 77 4.984 -3.106 8.687 1.00 23.21 H new ATOM 0 HD11 ILE A 77 3.975 0.122 11.193 1.00 64.44 H new ATOM 0 HD12 ILE A 77 2.565 -0.964 11.143 1.00 64.44 H new ATOM 0 HD13 ILE A 77 4.210 -1.642 11.164 1.00 64.44 H new ATOM 1233 N LEU A 78 3.406 -3.929 5.810 1.00 51.03 N ATOM 1234 CA LEU A 78 3.024 -5.160 5.142 1.00 64.31 C ATOM 1235 C LEU A 78 2.901 -6.298 6.154 1.00 31.25 C ATOM 1236 O LEU A 78 3.852 -6.601 6.872 1.00 0.25 O ATOM 1237 CB LEU A 78 4.074 -5.512 4.083 1.00 25.40 C ATOM 1238 CG LEU A 78 3.718 -6.675 3.157 1.00 53.22 C ATOM 1239 CD1 LEU A 78 2.577 -6.286 2.231 1.00 25.50 C ATOM 1240 CD2 LEU A 78 4.933 -7.107 2.353 1.00 5.32 C ATOM 0 H LEU A 78 4.399 -3.708 5.740 1.00 51.03 H new ATOM 0 HA LEU A 78 2.056 -5.019 4.661 1.00 64.31 H new ATOM 0 HB2 LEU A 78 4.257 -4.628 3.472 1.00 25.40 H new ATOM 0 HB3 LEU A 78 5.009 -5.749 4.590 1.00 25.40 H new ATOM 0 HG LEU A 78 3.394 -7.517 3.769 1.00 53.22 H new ATOM 0 HD11 LEU A 78 2.336 -7.125 1.578 1.00 25.50 H new ATOM 0 HD12 LEU A 78 1.701 -6.024 2.824 1.00 25.50 H new ATOM 0 HD13 LEU A 78 2.875 -5.430 1.626 1.00 25.50 H new ATOM 0 HD21 LEU A 78 4.661 -7.936 1.699 1.00 5.32 H new ATOM 0 HD22 LEU A 78 5.287 -6.271 1.750 1.00 5.32 H new ATOM 0 HD23 LEU A 78 5.724 -7.425 3.032 1.00 5.32 H new ATOM 1252 N LEU A 79 1.726 -6.912 6.210 1.00 31.22 N ATOM 1253 CA LEU A 79 1.475 -8.026 7.117 1.00 43.32 C ATOM 1254 C LEU A 79 1.589 -9.353 6.379 1.00 33.12 C ATOM 1255 O LEU A 79 2.065 -10.346 6.933 1.00 54.05 O ATOM 1256 CB LEU A 79 0.077 -7.915 7.736 1.00 62.44 C ATOM 1257 CG LEU A 79 -0.163 -6.689 8.621 1.00 23.22 C ATOM 1258 CD1 LEU A 79 -1.592 -6.695 9.147 1.00 51.43 C ATOM 1259 CD2 LEU A 79 0.829 -6.661 9.775 1.00 33.14 C ATOM 0 H LEU A 79 0.925 -6.655 5.633 1.00 31.22 H new ATOM 0 HA LEU A 79 2.224 -7.986 7.908 1.00 43.32 H new ATOM 0 HB2 LEU A 79 -0.657 -7.908 6.930 1.00 62.44 H new ATOM 0 HB3 LEU A 79 -0.110 -8.810 8.329 1.00 62.44 H new ATOM 0 HG LEU A 79 -0.015 -5.791 8.021 1.00 23.22 H new ATOM 0 HD11 LEU A 79 -1.752 -5.819 9.775 1.00 51.43 H new ATOM 0 HD12 LEU A 79 -2.288 -6.673 8.309 1.00 51.43 H new ATOM 0 HD13 LEU A 79 -1.760 -7.598 9.734 1.00 51.43 H new ATOM 0 HD21 LEU A 79 0.643 -5.783 10.393 1.00 33.14 H new ATOM 0 HD22 LEU A 79 0.711 -7.561 10.378 1.00 33.14 H new ATOM 0 HD23 LEU A 79 1.844 -6.619 9.381 1.00 33.14 H new ATOM 1271 N GLN A 80 1.143 -9.360 5.135 1.00 1.13 N ATOM 1272 CA GLN A 80 1.161 -10.559 4.312 1.00 11.14 C ATOM 1273 C GLN A 80 1.841 -10.262 2.986 1.00 61.42 C ATOM 1274 O GLN A 80 1.547 -9.255 2.348 1.00 60.35 O ATOM 1275 CB GLN A 80 -0.269 -11.042 4.051 1.00 54.24 C ATOM 1276 CG GLN A 80 -0.352 -12.296 3.194 1.00 41.10 C ATOM 1277 CD GLN A 80 -1.570 -12.303 2.291 1.00 11.42 C ATOM 1278 OE1 GLN A 80 -1.511 -11.847 1.151 1.00 34.45 O ATOM 1279 NE2 GLN A 80 -2.684 -12.813 2.790 1.00 72.24 N ATOM 0 H GLN A 80 0.759 -8.539 4.667 1.00 1.13 H new ATOM 0 HA GLN A 80 1.712 -11.338 4.839 1.00 11.14 H new ATOM 0 HB2 GLN A 80 -0.757 -11.235 5.007 1.00 54.24 H new ATOM 0 HB3 GLN A 80 -0.828 -10.243 3.563 1.00 54.24 H new ATOM 0 HG2 GLN A 80 0.548 -12.376 2.585 1.00 41.10 H new ATOM 0 HG3 GLN A 80 -0.378 -13.173 3.841 1.00 41.10 H new ATOM 0 HE21 GLN A 80 -2.695 -13.182 3.741 1.00 72.24 H new ATOM 0 HE22 GLN A 80 -3.532 -12.837 2.224 1.00 72.24 H new ATOM 1288 N ASP A 81 2.743 -11.132 2.565 1.00 23.21 N ATOM 1289 CA ASP A 81 3.398 -10.961 1.278 1.00 3.12 C ATOM 1290 C ASP A 81 2.686 -11.807 0.235 1.00 51.13 C ATOM 1291 O ASP A 81 2.925 -13.010 0.130 1.00 55.04 O ATOM 1292 CB ASP A 81 4.880 -11.335 1.356 1.00 3.34 C ATOM 1293 CG ASP A 81 5.645 -10.918 0.115 1.00 72.20 C ATOM 1294 OD1 ASP A 81 5.204 -9.972 -0.574 1.00 63.10 O ATOM 1295 OD2 ASP A 81 6.707 -11.506 -0.164 1.00 3.01 O ATOM 0 H ASP A 81 3.037 -11.956 3.089 1.00 23.21 H new ATOM 0 HA ASP A 81 3.341 -9.911 0.992 1.00 3.12 H new ATOM 0 HB2 ASP A 81 5.326 -10.862 2.231 1.00 3.34 H new ATOM 0 HB3 ASP A 81 4.974 -12.412 1.493 1.00 3.34 H new