USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0771 (180deg=-0.00599) USER MOD Single : A 3 HIS : no HD1:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=-0.022) USER MOD Single : A 8 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.34) USER MOD Single : A 9 SER OG : rot 41:sc= 0.527 USER MOD Single : A 10 HIS : no HD1:sc= -0.0209 K(o=-0.021,f=-0.58) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0.0053) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 1.07 (180deg=0.698) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.271 F(o=-0.97,f=-0.27) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.811 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -0.0173 (180deg=-0.171) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -38:sc= 0.176 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.7) USER MOD Single : A 66 SER OG : rot 85:sc= 0.94 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.835 -28.975 -18.691 1.00 12.23 N ATOM 2 CA MET A 1 -23.482 -28.761 -18.109 1.00 42.03 C ATOM 3 C MET A 1 -23.572 -28.409 -16.617 1.00 51.14 C ATOM 4 O MET A 1 -24.656 -28.423 -16.030 1.00 42.25 O ATOM 5 CB MET A 1 -22.750 -27.635 -18.858 1.00 52.12 C ATOM 6 CG MET A 1 -23.396 -26.263 -18.697 1.00 73.44 C ATOM 7 SD MET A 1 -22.439 -24.948 -19.477 1.00 40.15 S ATOM 8 CE MET A 1 -23.428 -23.511 -19.057 1.00 23.44 C ATOM 0 H1 MET A 1 -24.920 -29.958 -19.020 1.00 12.23 H new ATOM 0 H2 MET A 1 -25.558 -28.789 -17.967 1.00 12.23 H new ATOM 0 H3 MET A 1 -24.974 -28.328 -19.493 1.00 12.23 H new ATOM 0 HA MET A 1 -22.923 -29.691 -18.215 1.00 42.03 H new ATOM 0 HB2 MET A 1 -21.721 -27.585 -18.502 1.00 52.12 H new ATOM 0 HB3 MET A 1 -22.709 -27.884 -19.918 1.00 52.12 H new ATOM 0 HG2 MET A 1 -24.397 -26.284 -19.129 1.00 73.44 H new ATOM 0 HG3 MET A 1 -23.511 -26.042 -17.636 1.00 73.44 H new ATOM 0 HE1 MET A 1 -22.964 -22.616 -19.471 1.00 23.44 H new ATOM 0 HE2 MET A 1 -24.430 -23.625 -19.472 1.00 23.44 H new ATOM 0 HE3 MET A 1 -23.492 -23.418 -17.973 1.00 23.44 H new ATOM 20 N GLY A 2 -22.429 -28.102 -16.006 1.00 12.11 N ATOM 21 CA GLY A 2 -22.413 -27.658 -14.618 1.00 44.14 C ATOM 22 C GLY A 2 -22.516 -28.803 -13.618 1.00 53.31 C ATOM 23 O GLY A 2 -23.615 -29.246 -13.276 1.00 32.02 O ATOM 0 H GLY A 2 -21.511 -28.153 -16.447 1.00 12.11 H new ATOM 0 HA2 GLY A 2 -21.493 -27.104 -14.432 1.00 44.14 H new ATOM 0 HA3 GLY A 2 -23.240 -26.967 -14.455 1.00 44.14 H new ATOM 27 N HIS A 3 -21.368 -29.290 -13.151 1.00 3.52 N ATOM 28 CA HIS A 3 -21.327 -30.351 -12.145 1.00 61.41 C ATOM 29 C HIS A 3 -21.676 -29.787 -10.757 1.00 40.32 C ATOM 30 O HIS A 3 -20.794 -29.456 -9.963 1.00 71.14 O ATOM 31 CB HIS A 3 -19.942 -31.020 -12.129 1.00 15.55 C ATOM 32 CG HIS A 3 -19.835 -32.174 -11.176 1.00 30.22 C ATOM 33 ND1 HIS A 3 -20.154 -33.468 -11.521 1.00 42.20 N ATOM 34 CD2 HIS A 3 -19.436 -32.224 -9.880 1.00 54.30 C ATOM 35 CE1 HIS A 3 -19.957 -34.260 -10.486 1.00 63.54 C ATOM 36 NE2 HIS A 3 -19.523 -33.532 -9.479 1.00 3.42 N ATOM 0 H HIS A 3 -20.450 -28.965 -13.454 1.00 3.52 H new ATOM 0 HA HIS A 3 -22.069 -31.106 -12.404 1.00 61.41 H new ATOM 0 HB2 HIS A 3 -19.706 -31.369 -13.134 1.00 15.55 H new ATOM 0 HB3 HIS A 3 -19.192 -30.274 -11.866 1.00 15.55 H new ATOM 0 HD2 HIS A 3 -19.111 -31.389 -9.277 1.00 54.30 H new ATOM 0 HE1 HIS A 3 -20.124 -35.327 -10.467 1.00 63.54 H new ATOM 0 HE2 HIS A 3 -19.289 -33.884 -8.551 1.00 3.42 H new ATOM 45 N HIS A 4 -22.971 -29.659 -10.488 1.00 14.32 N ATOM 46 CA HIS A 4 -23.452 -29.034 -9.252 1.00 61.33 C ATOM 47 C HIS A 4 -23.814 -30.080 -8.181 1.00 10.30 C ATOM 48 O HIS A 4 -24.680 -30.933 -8.391 1.00 63.32 O ATOM 49 CB HIS A 4 -24.666 -28.149 -9.567 1.00 71.33 C ATOM 50 CG HIS A 4 -25.146 -27.345 -8.400 1.00 65.15 C ATOM 51 ND1 HIS A 4 -24.625 -26.112 -8.067 1.00 11.40 N ATOM 52 CD2 HIS A 4 -26.107 -27.602 -7.486 1.00 34.14 C ATOM 53 CE1 HIS A 4 -25.242 -25.651 -6.998 1.00 15.34 C ATOM 54 NE2 HIS A 4 -26.146 -26.535 -6.627 1.00 40.14 N ATOM 0 H HIS A 4 -23.713 -29.980 -11.110 1.00 14.32 H new ATOM 0 HA HIS A 4 -22.646 -28.423 -8.845 1.00 61.33 H new ATOM 0 HB2 HIS A 4 -24.409 -27.472 -10.382 1.00 71.33 H new ATOM 0 HB3 HIS A 4 -25.481 -28.779 -9.922 1.00 71.33 H new ATOM 0 HD2 HIS A 4 -26.729 -28.484 -7.441 1.00 34.14 H new ATOM 0 HE1 HIS A 4 -25.041 -24.709 -6.509 1.00 15.34 H new ATOM 0 HE2 HIS A 4 -26.774 -26.440 -5.829 1.00 40.14 H new ATOM 63 N HIS A 5 -23.151 -29.995 -7.032 1.00 61.44 N ATOM 64 CA HIS A 5 -23.396 -30.913 -5.910 1.00 64.31 C ATOM 65 C HIS A 5 -24.183 -30.206 -4.786 1.00 50.31 C ATOM 66 O HIS A 5 -23.606 -29.472 -3.982 1.00 31.22 O ATOM 67 CB HIS A 5 -22.049 -31.443 -5.383 1.00 4.32 C ATOM 68 CG HIS A 5 -22.167 -32.535 -4.361 1.00 72.21 C ATOM 69 ND1 HIS A 5 -22.371 -33.856 -4.697 1.00 70.44 N ATOM 70 CD2 HIS A 5 -22.091 -32.506 -3.008 1.00 31.04 C ATOM 71 CE1 HIS A 5 -22.413 -34.587 -3.605 1.00 54.35 C ATOM 72 NE2 HIS A 5 -22.248 -33.797 -2.567 1.00 73.42 N ATOM 0 H HIS A 5 -22.432 -29.295 -6.847 1.00 61.44 H new ATOM 0 HA HIS A 5 -23.999 -31.751 -6.259 1.00 64.31 H new ATOM 0 HB2 HIS A 5 -21.464 -31.813 -6.225 1.00 4.32 H new ATOM 0 HB3 HIS A 5 -21.492 -30.614 -4.947 1.00 4.32 H new ATOM 0 HD2 HIS A 5 -21.936 -31.632 -2.393 1.00 31.04 H new ATOM 0 HE1 HIS A 5 -22.559 -35.656 -3.567 1.00 54.35 H new ATOM 0 HE2 HIS A 5 -22.238 -34.095 -1.592 1.00 73.42 H new ATOM 81 N HIS A 6 -25.503 -30.425 -4.740 1.00 41.34 N ATOM 82 CA HIS A 6 -26.370 -29.717 -3.784 1.00 72.40 C ATOM 83 C HIS A 6 -26.042 -30.083 -2.325 1.00 53.23 C ATOM 84 O HIS A 6 -25.703 -31.230 -2.021 1.00 65.34 O ATOM 85 CB HIS A 6 -27.859 -29.987 -4.084 1.00 71.54 C ATOM 86 CG HIS A 6 -28.313 -31.399 -3.842 1.00 64.13 C ATOM 87 ND1 HIS A 6 -28.353 -32.362 -4.825 1.00 53.15 N ATOM 88 CD2 HIS A 6 -28.793 -31.997 -2.722 1.00 73.20 C ATOM 89 CE1 HIS A 6 -28.840 -33.479 -4.329 1.00 0.13 C ATOM 90 NE2 HIS A 6 -29.116 -33.289 -3.055 1.00 42.01 N ATOM 0 H HIS A 6 -25.993 -31.081 -5.348 1.00 41.34 H new ATOM 0 HA HIS A 6 -26.176 -28.652 -3.908 1.00 72.40 H new ATOM 0 HB2 HIS A 6 -28.464 -29.318 -3.472 1.00 71.54 H new ATOM 0 HB3 HIS A 6 -28.056 -29.732 -5.125 1.00 71.54 H new ATOM 0 HD2 HIS A 6 -28.901 -31.541 -1.749 1.00 73.20 H new ATOM 0 HE1 HIS A 6 -28.989 -34.399 -4.875 1.00 0.13 H new ATOM 0 HE2 HIS A 6 -29.505 -33.987 -2.421 1.00 42.01 H new ATOM 99 N HIS A 7 -26.137 -29.088 -1.439 1.00 54.42 N ATOM 100 CA HIS A 7 -25.852 -29.263 -0.009 1.00 15.33 C ATOM 101 C HIS A 7 -24.376 -29.653 0.210 1.00 23.31 C ATOM 102 O HIS A 7 -24.062 -30.573 0.971 1.00 2.43 O ATOM 103 CB HIS A 7 -26.804 -30.310 0.598 1.00 54.42 C ATOM 104 CG HIS A 7 -26.874 -30.286 2.095 1.00 71.14 C ATOM 105 ND1 HIS A 7 -27.429 -31.307 2.834 1.00 33.22 N ATOM 106 CD2 HIS A 7 -26.485 -29.349 2.995 1.00 61.14 C ATOM 107 CE1 HIS A 7 -27.380 -31.005 4.114 1.00 11.34 C ATOM 108 NE2 HIS A 7 -26.814 -29.826 4.237 1.00 34.54 N ATOM 0 H HIS A 7 -26.413 -28.139 -1.691 1.00 54.42 H new ATOM 0 HA HIS A 7 -26.021 -28.315 0.501 1.00 15.33 H new ATOM 0 HB2 HIS A 7 -27.805 -30.150 0.197 1.00 54.42 H new ATOM 0 HB3 HIS A 7 -26.487 -31.302 0.277 1.00 54.42 H new ATOM 0 HD2 HIS A 7 -26.007 -28.406 2.775 1.00 61.14 H new ATOM 0 HE1 HIS A 7 -27.743 -31.621 4.924 1.00 11.34 H new ATOM 0 HE2 HIS A 7 -26.646 -29.341 5.119 1.00 34.54 H new ATOM 117 N HIS A 8 -23.486 -28.938 -0.477 1.00 14.44 N ATOM 118 CA HIS A 8 -22.034 -29.159 -0.380 1.00 51.12 C ATOM 119 C HIS A 8 -21.525 -29.075 1.073 1.00 24.12 C ATOM 120 O HIS A 8 -21.593 -28.024 1.709 1.00 21.45 O ATOM 121 CB HIS A 8 -21.289 -28.135 -1.257 1.00 1.12 C ATOM 122 CG HIS A 8 -21.628 -26.707 -0.940 1.00 15.12 C ATOM 123 ND1 HIS A 8 -20.829 -25.887 -0.166 1.00 12.41 N ATOM 124 CD2 HIS A 8 -22.695 -25.954 -1.294 1.00 20.53 C ATOM 125 CE1 HIS A 8 -21.394 -24.699 -0.059 1.00 14.52 C ATOM 126 NE2 HIS A 8 -22.522 -24.715 -0.732 1.00 12.04 N ATOM 0 H HIS A 8 -23.746 -28.188 -1.118 1.00 14.44 H new ATOM 0 HA HIS A 8 -21.833 -30.169 -0.737 1.00 51.12 H new ATOM 0 HB2 HIS A 8 -20.215 -28.280 -1.136 1.00 1.12 H new ATOM 0 HB3 HIS A 8 -21.521 -28.330 -2.304 1.00 1.12 H new ATOM 0 HD2 HIS A 8 -23.528 -26.270 -1.905 1.00 20.53 H new ATOM 0 HE1 HIS A 8 -20.997 -23.857 0.489 1.00 14.52 H new ATOM 0 HE2 HIS A 8 -23.167 -23.930 -0.822 1.00 12.04 H new ATOM 135 N SER A 9 -21.009 -30.191 1.584 1.00 31.11 N ATOM 136 CA SER A 9 -20.480 -30.245 2.956 1.00 14.23 C ATOM 137 C SER A 9 -19.046 -29.699 3.027 1.00 1.51 C ATOM 138 O SER A 9 -18.071 -30.445 2.918 1.00 52.43 O ATOM 139 CB SER A 9 -20.525 -31.683 3.506 1.00 31.33 C ATOM 140 OG SER A 9 -19.794 -32.583 2.683 1.00 40.11 O ATOM 0 H SER A 9 -20.943 -31.072 1.074 1.00 31.11 H new ATOM 0 HA SER A 9 -21.117 -29.612 3.574 1.00 14.23 H new ATOM 0 HB2 SER A 9 -20.116 -31.699 4.516 1.00 31.33 H new ATOM 0 HB3 SER A 9 -21.561 -32.014 3.576 1.00 31.33 H new ATOM 0 HG SER A 9 -18.963 -32.155 2.388 1.00 40.11 H new ATOM 146 N HIS A 10 -18.922 -28.383 3.183 1.00 65.54 N ATOM 147 CA HIS A 10 -17.611 -27.735 3.307 1.00 24.52 C ATOM 148 C HIS A 10 -17.723 -26.393 4.048 1.00 13.32 C ATOM 149 O HIS A 10 -18.522 -25.531 3.677 1.00 73.32 O ATOM 150 CB HIS A 10 -16.984 -27.523 1.919 1.00 22.05 C ATOM 151 CG HIS A 10 -15.615 -26.905 1.959 1.00 24.40 C ATOM 152 ND1 HIS A 10 -15.411 -25.543 1.932 1.00 33.42 N ATOM 153 CD2 HIS A 10 -14.380 -27.463 2.032 1.00 62.22 C ATOM 154 CE1 HIS A 10 -14.121 -25.288 1.986 1.00 30.10 C ATOM 155 NE2 HIS A 10 -13.473 -26.429 2.047 1.00 43.55 N ATOM 0 H HIS A 10 -19.713 -27.740 3.227 1.00 65.54 H new ATOM 0 HA HIS A 10 -16.966 -28.393 3.890 1.00 24.52 H new ATOM 0 HB2 HIS A 10 -16.924 -28.484 1.407 1.00 22.05 H new ATOM 0 HB3 HIS A 10 -17.642 -26.887 1.327 1.00 22.05 H new ATOM 0 HD2 HIS A 10 -14.153 -28.518 2.071 1.00 62.22 H new ATOM 0 HE1 HIS A 10 -13.671 -24.306 1.981 1.00 30.10 H new ATOM 0 HE2 HIS A 10 -12.459 -26.532 2.097 1.00 43.55 H new ATOM 164 N MET A 11 -16.903 -26.227 5.085 1.00 4.32 N ATOM 165 CA MET A 11 -16.926 -25.024 5.929 1.00 44.24 C ATOM 166 C MET A 11 -16.491 -23.763 5.159 1.00 32.24 C ATOM 167 O MET A 11 -15.646 -23.822 4.259 1.00 53.32 O ATOM 168 CB MET A 11 -16.017 -25.223 7.153 1.00 22.45 C ATOM 169 CG MET A 11 -16.439 -26.381 8.057 1.00 33.10 C ATOM 170 SD MET A 11 -16.376 -27.985 7.224 1.00 13.43 S ATOM 171 CE MET A 11 -16.999 -29.063 8.514 1.00 35.31 C ATOM 0 H MET A 11 -16.206 -26.916 5.366 1.00 4.32 H new ATOM 0 HA MET A 11 -17.956 -24.874 6.251 1.00 44.24 H new ATOM 0 HB2 MET A 11 -14.996 -25.395 6.811 1.00 22.45 H new ATOM 0 HB3 MET A 11 -16.006 -24.304 7.738 1.00 22.45 H new ATOM 0 HG2 MET A 11 -15.790 -26.407 8.933 1.00 33.10 H new ATOM 0 HG3 MET A 11 -17.453 -26.204 8.416 1.00 33.10 H new ATOM 0 HE1 MET A 11 -17.020 -30.091 8.151 1.00 35.31 H new ATOM 0 HE2 MET A 11 -16.349 -29.000 9.387 1.00 35.31 H new ATOM 0 HE3 MET A 11 -18.008 -28.755 8.790 1.00 35.31 H new ATOM 181 N ASN A 12 -17.081 -22.627 5.523 1.00 1.11 N ATOM 182 CA ASN A 12 -16.737 -21.336 4.919 1.00 41.54 C ATOM 183 C ASN A 12 -17.169 -20.175 5.830 1.00 52.31 C ATOM 184 O ASN A 12 -18.309 -19.707 5.765 1.00 70.40 O ATOM 185 CB ASN A 12 -17.394 -21.198 3.540 1.00 53.35 C ATOM 186 CG ASN A 12 -16.936 -19.954 2.794 1.00 41.41 C ATOM 187 OD1 ASN A 12 -15.805 -19.503 2.945 1.00 31.13 O ATOM 188 ND2 ASN A 12 -17.810 -19.382 1.989 1.00 34.12 N ATOM 0 H ASN A 12 -17.806 -22.572 6.239 1.00 1.11 H new ATOM 0 HA ASN A 12 -15.654 -21.295 4.798 1.00 41.54 H new ATOM 0 HB2 ASN A 12 -17.164 -22.080 2.943 1.00 53.35 H new ATOM 0 HB3 ASN A 12 -18.477 -21.167 3.659 1.00 53.35 H new ATOM 0 HD21 ASN A 12 -17.553 -18.541 1.472 1.00 34.12 H new ATOM 0 HD22 ASN A 12 -18.743 -19.780 1.884 1.00 34.12 H new ATOM 195 N HIS A 13 -16.257 -19.732 6.692 1.00 72.50 N ATOM 196 CA HIS A 13 -16.527 -18.616 7.611 1.00 74.41 C ATOM 197 C HIS A 13 -16.830 -17.325 6.831 1.00 43.43 C ATOM 198 O HIS A 13 -17.763 -16.589 7.162 1.00 4.33 O ATOM 199 CB HIS A 13 -15.328 -18.416 8.551 1.00 72.12 C ATOM 200 CG HIS A 13 -15.582 -17.465 9.687 1.00 54.13 C ATOM 201 ND1 HIS A 13 -14.793 -16.367 9.941 1.00 42.01 N ATOM 202 CD2 HIS A 13 -16.523 -17.476 10.664 1.00 21.33 C ATOM 203 CE1 HIS A 13 -15.232 -15.747 11.018 1.00 52.41 C ATOM 204 NE2 HIS A 13 -16.278 -16.398 11.478 1.00 14.12 N ATOM 0 H HIS A 13 -15.320 -20.127 6.778 1.00 72.50 H new ATOM 0 HA HIS A 13 -17.407 -18.857 8.208 1.00 74.41 H new ATOM 0 HB2 HIS A 13 -15.038 -19.383 8.961 1.00 72.12 H new ATOM 0 HB3 HIS A 13 -14.482 -18.050 7.969 1.00 72.12 H new ATOM 0 HD2 HIS A 13 -17.317 -18.199 10.780 1.00 21.33 H new ATOM 0 HE1 HIS A 13 -14.805 -14.854 11.450 1.00 52.41 H new ATOM 0 HE2 HIS A 13 -16.819 -16.144 12.305 1.00 14.12 H new ATOM 213 N GLN A 14 -16.023 -17.064 5.801 1.00 15.21 N ATOM 214 CA GLN A 14 -16.252 -15.958 4.861 1.00 42.20 C ATOM 215 C GLN A 14 -15.136 -15.902 3.810 1.00 41.30 C ATOM 216 O GLN A 14 -14.034 -16.411 4.028 1.00 54.51 O ATOM 217 CB GLN A 14 -16.339 -14.603 5.586 1.00 1.55 C ATOM 218 CG GLN A 14 -15.025 -14.137 6.205 1.00 50.01 C ATOM 219 CD GLN A 14 -15.151 -12.782 6.884 1.00 10.04 C ATOM 220 OE1 GLN A 14 -14.985 -11.746 6.258 1.00 23.35 O ATOM 221 NE2 GLN A 14 -15.439 -12.780 8.168 1.00 25.11 N ATOM 0 H GLN A 14 -15.189 -17.613 5.592 1.00 15.21 H new ATOM 0 HA GLN A 14 -17.206 -16.147 4.370 1.00 42.20 H new ATOM 0 HB2 GLN A 14 -16.682 -13.847 4.879 1.00 1.55 H new ATOM 0 HB3 GLN A 14 -17.093 -14.672 6.371 1.00 1.55 H new ATOM 0 HG2 GLN A 14 -14.688 -14.875 6.933 1.00 50.01 H new ATOM 0 HG3 GLN A 14 -14.261 -14.082 5.430 1.00 50.01 H new ATOM 0 HE21 GLN A 14 -15.572 -13.662 8.662 1.00 25.11 H new ATOM 0 HE22 GLN A 14 -15.530 -11.896 8.669 1.00 25.11 H new ATOM 230 N HIS A 15 -15.421 -15.284 2.671 1.00 32.11 N ATOM 231 CA HIS A 15 -14.424 -15.113 1.612 1.00 51.41 C ATOM 232 C HIS A 15 -14.706 -13.842 0.804 1.00 14.05 C ATOM 233 O HIS A 15 -15.819 -13.648 0.312 1.00 62.13 O ATOM 234 CB HIS A 15 -14.404 -16.338 0.685 1.00 64.02 C ATOM 235 CG HIS A 15 -13.349 -16.265 -0.376 1.00 43.21 C ATOM 236 ND1 HIS A 15 -13.586 -15.782 -1.642 1.00 71.03 N ATOM 237 CD2 HIS A 15 -12.040 -16.612 -0.350 1.00 51.42 C ATOM 238 CE1 HIS A 15 -12.477 -15.831 -2.348 1.00 32.51 C ATOM 239 NE2 HIS A 15 -11.523 -16.330 -1.590 1.00 21.41 N ATOM 0 H HIS A 15 -16.336 -14.890 2.453 1.00 32.11 H new ATOM 0 HA HIS A 15 -13.445 -15.016 2.081 1.00 51.41 H new ATOM 0 HB2 HIS A 15 -14.245 -17.235 1.284 1.00 64.02 H new ATOM 0 HB3 HIS A 15 -15.380 -16.441 0.210 1.00 64.02 H new ATOM 0 HD2 HIS A 15 -11.504 -17.032 0.488 1.00 51.42 H new ATOM 0 HE1 HIS A 15 -12.368 -15.515 -3.375 1.00 32.51 H new ATOM 0 HE2 HIS A 15 -10.556 -16.482 -1.878 1.00 21.41 H new ATOM 248 N GLU A 16 -13.699 -12.985 0.670 1.00 62.41 N ATOM 249 CA GLU A 16 -13.861 -11.701 -0.022 1.00 54.24 C ATOM 250 C GLU A 16 -12.509 -11.143 -0.490 1.00 35.50 C ATOM 251 O GLU A 16 -11.491 -11.838 -0.456 1.00 24.22 O ATOM 252 CB GLU A 16 -14.539 -10.689 0.911 1.00 35.23 C ATOM 253 CG GLU A 16 -13.720 -10.357 2.154 1.00 60.50 C ATOM 254 CD GLU A 16 -14.399 -9.336 3.048 1.00 60.25 C ATOM 255 OE1 GLU A 16 -14.410 -8.141 2.694 1.00 24.52 O ATOM 256 OE2 GLU A 16 -14.916 -9.720 4.116 1.00 34.43 O ATOM 0 H GLU A 16 -12.759 -13.152 1.030 1.00 62.41 H new ATOM 0 HA GLU A 16 -14.484 -11.869 -0.901 1.00 54.24 H new ATOM 0 HB2 GLU A 16 -14.731 -9.770 0.357 1.00 35.23 H new ATOM 0 HB3 GLU A 16 -15.507 -11.084 1.219 1.00 35.23 H new ATOM 0 HG2 GLU A 16 -13.543 -11.270 2.722 1.00 60.50 H new ATOM 0 HG3 GLU A 16 -12.745 -9.976 1.850 1.00 60.50 H new ATOM 263 N ALA A 17 -12.511 -9.884 -0.931 1.00 32.11 N ATOM 264 CA ALA A 17 -11.276 -9.192 -1.308 1.00 22.24 C ATOM 265 C ALA A 17 -10.316 -9.080 -0.110 1.00 4.43 C ATOM 266 O ALA A 17 -10.678 -8.551 0.945 1.00 63.41 O ATOM 267 CB ALA A 17 -11.598 -7.810 -1.865 1.00 74.32 C ATOM 0 H ALA A 17 -13.355 -9.321 -1.036 1.00 32.11 H new ATOM 0 HA ALA A 17 -10.779 -9.777 -2.082 1.00 22.24 H new ATOM 0 HB1 ALA A 17 -10.673 -7.305 -2.142 1.00 74.32 H new ATOM 0 HB2 ALA A 17 -12.233 -7.911 -2.745 1.00 74.32 H new ATOM 0 HB3 ALA A 17 -12.118 -7.224 -1.107 1.00 74.32 H new ATOM 273 N ARG A 18 -9.100 -9.596 -0.276 1.00 74.34 N ATOM 274 CA ARG A 18 -8.093 -9.575 0.797 1.00 71.13 C ATOM 275 C ARG A 18 -7.581 -8.149 1.089 1.00 43.42 C ATOM 276 O ARG A 18 -7.467 -7.316 0.186 1.00 12.12 O ATOM 277 CB ARG A 18 -6.902 -10.490 0.450 1.00 42.11 C ATOM 278 CG ARG A 18 -6.038 -9.998 -0.711 1.00 32.24 C ATOM 279 CD ARG A 18 -6.690 -10.221 -2.075 1.00 43.41 C ATOM 280 NE ARG A 18 -6.815 -11.641 -2.392 1.00 62.21 N ATOM 281 CZ ARG A 18 -5.955 -12.303 -3.114 1.00 41.24 C ATOM 282 NH1 ARG A 18 -4.950 -11.694 -3.652 1.00 30.21 N ATOM 283 NH2 ARG A 18 -6.115 -13.567 -3.309 1.00 51.03 N ATOM 0 H ARG A 18 -8.783 -10.035 -1.140 1.00 74.34 H new ATOM 0 HA ARG A 18 -8.586 -9.946 1.695 1.00 71.13 H new ATOM 0 HB2 ARG A 18 -6.273 -10.596 1.334 1.00 42.11 H new ATOM 0 HB3 ARG A 18 -7.282 -11.483 0.208 1.00 42.11 H new ATOM 0 HG2 ARG A 18 -5.835 -8.935 -0.581 1.00 32.24 H new ATOM 0 HG3 ARG A 18 -5.077 -10.512 -0.685 1.00 32.24 H new ATOM 0 HD2 ARG A 18 -7.677 -9.758 -2.086 1.00 43.41 H new ATOM 0 HD3 ARG A 18 -6.098 -9.728 -2.846 1.00 43.41 H new ATOM 0 HE ARG A 18 -7.623 -12.145 -2.027 1.00 62.21 H new ATOM 0 HH11 ARG A 18 -4.827 -10.691 -3.512 1.00 30.21 H new ATOM 0 HH12 ARG A 18 -4.280 -12.216 -4.216 1.00 30.21 H new ATOM 0 HH21 ARG A 18 -6.915 -14.049 -2.898 1.00 51.03 H new ATOM 0 HH22 ARG A 18 -5.442 -14.085 -3.874 1.00 51.03 H new ATOM 297 N LYS A 19 -7.273 -7.879 2.356 1.00 43.25 N ATOM 298 CA LYS A 19 -6.699 -6.588 2.770 1.00 50.01 C ATOM 299 C LYS A 19 -5.329 -6.777 3.439 1.00 32.02 C ATOM 300 O LYS A 19 -5.005 -7.855 3.937 1.00 55.52 O ATOM 301 CB LYS A 19 -7.640 -5.846 3.743 1.00 4.14 C ATOM 302 CG LYS A 19 -8.783 -5.076 3.077 1.00 4.43 C ATOM 303 CD LYS A 19 -9.894 -5.987 2.562 1.00 71.42 C ATOM 304 CE LYS A 19 -10.629 -6.696 3.698 1.00 31.31 C ATOM 305 NZ LYS A 19 -11.779 -7.497 3.203 1.00 10.55 N ATOM 0 H LYS A 19 -7.410 -8.538 3.122 1.00 43.25 H new ATOM 0 HA LYS A 19 -6.575 -5.990 1.867 1.00 50.01 H new ATOM 0 HB2 LYS A 19 -8.066 -6.571 4.436 1.00 4.14 H new ATOM 0 HB3 LYS A 19 -7.048 -5.148 4.335 1.00 4.14 H new ATOM 0 HG2 LYS A 19 -9.203 -4.369 3.792 1.00 4.43 H new ATOM 0 HG3 LYS A 19 -8.385 -4.492 2.247 1.00 4.43 H new ATOM 0 HD2 LYS A 19 -10.605 -5.399 1.982 1.00 71.42 H new ATOM 0 HD3 LYS A 19 -9.469 -6.730 1.886 1.00 71.42 H new ATOM 0 HE2 LYS A 19 -9.935 -7.348 4.228 1.00 31.31 H new ATOM 0 HE3 LYS A 19 -10.984 -5.957 4.417 1.00 31.31 H new ATOM 0 HZ1 LYS A 19 -11.918 -8.322 3.820 1.00 10.55 H new ATOM 0 HZ2 LYS A 19 -12.638 -6.911 3.209 1.00 10.55 H new ATOM 0 HZ3 LYS A 19 -11.586 -7.819 2.233 1.00 10.55 H new ATOM 319 N VAL A 20 -4.530 -5.714 3.442 1.00 0.35 N ATOM 320 CA VAL A 20 -3.240 -5.693 4.140 1.00 61.43 C ATOM 321 C VAL A 20 -3.190 -4.523 5.131 1.00 21.00 C ATOM 322 O VAL A 20 -3.863 -3.505 4.944 1.00 62.24 O ATOM 323 CB VAL A 20 -2.047 -5.589 3.152 1.00 24.54 C ATOM 324 CG1 VAL A 20 -1.954 -6.835 2.272 1.00 3.52 C ATOM 325 CG2 VAL A 20 -2.152 -4.326 2.293 1.00 32.01 C ATOM 0 H VAL A 20 -4.754 -4.842 2.963 1.00 0.35 H new ATOM 0 HA VAL A 20 -3.149 -6.636 4.679 1.00 61.43 H new ATOM 0 HB VAL A 20 -1.133 -5.521 3.742 1.00 24.54 H new ATOM 0 HG11 VAL A 20 -1.110 -6.736 1.589 1.00 3.52 H new ATOM 0 HG12 VAL A 20 -1.811 -7.714 2.900 1.00 3.52 H new ATOM 0 HG13 VAL A 20 -2.874 -6.945 1.698 1.00 3.52 H new ATOM 0 HG21 VAL A 20 -1.304 -4.279 1.610 1.00 32.01 H new ATOM 0 HG22 VAL A 20 -3.078 -4.352 1.719 1.00 32.01 H new ATOM 0 HG23 VAL A 20 -2.149 -3.447 2.937 1.00 32.01 H new ATOM 335 N ARG A 21 -2.397 -4.669 6.186 1.00 10.04 N ATOM 336 CA ARG A 21 -2.319 -3.653 7.243 1.00 2.43 C ATOM 337 C ARG A 21 -0.944 -2.971 7.269 1.00 73.42 C ATOM 338 O ARG A 21 0.091 -3.637 7.334 1.00 52.35 O ATOM 339 CB ARG A 21 -2.638 -4.301 8.598 1.00 52.44 C ATOM 340 CG ARG A 21 -2.425 -3.394 9.810 1.00 13.20 C ATOM 341 CD ARG A 21 -3.001 -4.022 11.079 1.00 1.12 C ATOM 342 NE ARG A 21 -2.687 -5.448 11.180 1.00 54.43 N ATOM 343 CZ ARG A 21 -3.317 -6.286 11.960 1.00 50.33 C ATOM 344 NH1 ARG A 21 -4.195 -5.866 12.811 1.00 63.20 N ATOM 345 NH2 ARG A 21 -3.052 -7.548 11.901 1.00 22.44 N ATOM 0 H ARG A 21 -1.796 -5.479 6.337 1.00 10.04 H new ATOM 0 HA ARG A 21 -3.055 -2.876 7.035 1.00 2.43 H new ATOM 0 HB2 ARG A 21 -3.676 -4.635 8.590 1.00 52.44 H new ATOM 0 HB3 ARG A 21 -2.018 -5.190 8.714 1.00 52.44 H new ATOM 0 HG2 ARG A 21 -1.360 -3.207 9.945 1.00 13.20 H new ATOM 0 HG3 ARG A 21 -2.898 -2.428 9.632 1.00 13.20 H new ATOM 0 HD2 ARG A 21 -2.606 -3.502 11.952 1.00 1.12 H new ATOM 0 HD3 ARG A 21 -4.083 -3.888 11.090 1.00 1.12 H new ATOM 0 HE ARG A 21 -1.927 -5.811 10.604 1.00 54.43 H new ATOM 0 HH11 ARG A 21 -4.403 -4.870 12.879 1.00 63.20 H new ATOM 0 HH12 ARG A 21 -4.680 -6.531 13.414 1.00 63.20 H new ATOM 0 HH21 ARG A 21 -2.350 -7.892 11.245 1.00 22.44 H new ATOM 0 HH22 ARG A 21 -3.544 -8.201 12.510 1.00 22.44 H new ATOM 359 N ALA A 22 -0.944 -1.640 7.201 1.00 22.22 N ATOM 360 CA ALA A 22 0.298 -0.860 7.214 1.00 73.42 C ATOM 361 C ALA A 22 0.978 -0.897 8.588 1.00 21.12 C ATOM 362 O ALA A 22 0.350 -0.630 9.612 1.00 41.24 O ATOM 363 CB ALA A 22 0.013 0.582 6.807 1.00 54.53 C ATOM 0 H ALA A 22 -1.791 -1.076 7.136 1.00 22.22 H new ATOM 0 HA ALA A 22 0.982 -1.311 6.495 1.00 73.42 H new ATOM 0 HB1 ALA A 22 0.941 1.154 6.819 1.00 54.53 H new ATOM 0 HB2 ALA A 22 -0.411 0.600 5.803 1.00 54.53 H new ATOM 0 HB3 ALA A 22 -0.695 1.025 7.507 1.00 54.53 H new ATOM 369 N ILE A 23 2.266 -1.235 8.607 1.00 24.31 N ATOM 370 CA ILE A 23 3.039 -1.284 9.855 1.00 22.34 C ATOM 371 C ILE A 23 4.002 -0.090 9.985 1.00 62.25 C ATOM 372 O ILE A 23 4.517 0.184 11.070 1.00 3.20 O ATOM 373 CB ILE A 23 3.834 -2.610 9.977 1.00 32.15 C ATOM 374 CG1 ILE A 23 4.713 -2.839 8.733 1.00 4.25 C ATOM 375 CG2 ILE A 23 2.876 -3.787 10.188 1.00 62.42 C ATOM 376 CD1 ILE A 23 5.521 -4.123 8.774 1.00 21.13 C ATOM 0 H ILE A 23 2.800 -1.480 7.773 1.00 24.31 H new ATOM 0 HA ILE A 23 2.315 -1.229 10.668 1.00 22.34 H new ATOM 0 HB ILE A 23 4.491 -2.538 10.844 1.00 32.15 H new ATOM 0 HG12 ILE A 23 4.076 -2.851 7.848 1.00 4.25 H new ATOM 0 HG13 ILE A 23 5.395 -1.996 8.623 1.00 4.25 H new ATOM 0 HG21 ILE A 23 3.448 -4.711 10.272 1.00 62.42 H new ATOM 0 HG22 ILE A 23 2.303 -3.631 11.102 1.00 62.42 H new ATOM 0 HG23 ILE A 23 2.194 -3.858 9.340 1.00 62.42 H new ATOM 0 HD11 ILE A 23 6.113 -4.210 7.863 1.00 21.13 H new ATOM 0 HD12 ILE A 23 6.186 -4.107 9.638 1.00 21.13 H new ATOM 0 HD13 ILE A 23 4.846 -4.975 8.851 1.00 21.13 H new ATOM 388 N TYR A 24 4.243 0.616 8.879 1.00 33.41 N ATOM 389 CA TYR A 24 5.095 1.816 8.884 1.00 75.22 C ATOM 390 C TYR A 24 4.440 2.960 8.097 1.00 2.43 C ATOM 391 O TYR A 24 3.800 2.729 7.070 1.00 32.12 O ATOM 392 CB TYR A 24 6.476 1.515 8.281 1.00 24.24 C ATOM 393 CG TYR A 24 7.250 0.423 8.996 1.00 51.03 C ATOM 394 CD1 TYR A 24 7.603 0.554 10.333 1.00 3.40 C ATOM 395 CD2 TYR A 24 7.626 -0.742 8.333 1.00 1.24 C ATOM 396 CE1 TYR A 24 8.309 -0.438 10.986 1.00 60.30 C ATOM 397 CE2 TYR A 24 8.332 -1.739 8.981 1.00 11.21 C ATOM 398 CZ TYR A 24 8.668 -1.582 10.308 1.00 54.24 C ATOM 399 OH TYR A 24 9.374 -2.571 10.959 1.00 54.14 O ATOM 0 H TYR A 24 3.861 0.380 7.963 1.00 33.41 H new ATOM 0 HA TYR A 24 5.217 2.121 9.923 1.00 75.22 H new ATOM 0 HB2 TYR A 24 6.348 1.228 7.237 1.00 24.24 H new ATOM 0 HB3 TYR A 24 7.070 2.429 8.290 1.00 24.24 H new ATOM 0 HD1 TYR A 24 7.321 1.447 10.871 1.00 3.40 H new ATOM 0 HD2 TYR A 24 7.361 -0.869 7.294 1.00 1.24 H new ATOM 0 HE1 TYR A 24 8.579 -0.317 12.025 1.00 60.30 H new ATOM 0 HE2 TYR A 24 8.618 -2.635 8.450 1.00 11.21 H new ATOM 0 HH TYR A 24 9.547 -3.311 10.340 1.00 54.14 H new ATOM 409 N ASP A 25 4.603 4.190 8.584 1.00 11.51 N ATOM 410 CA ASP A 25 4.085 5.376 7.894 1.00 33.03 C ATOM 411 C ASP A 25 4.990 5.748 6.712 1.00 61.43 C ATOM 412 O ASP A 25 6.206 5.871 6.871 1.00 12.25 O ATOM 413 CB ASP A 25 4.012 6.562 8.861 1.00 75.04 C ATOM 414 CG ASP A 25 3.314 6.224 10.162 1.00 4.54 C ATOM 415 OD1 ASP A 25 3.993 5.769 11.105 1.00 14.31 O ATOM 416 OD2 ASP A 25 2.088 6.425 10.259 1.00 62.03 O ATOM 0 H ASP A 25 5.091 4.394 9.456 1.00 11.51 H new ATOM 0 HA ASP A 25 3.086 5.144 7.524 1.00 33.03 H new ATOM 0 HB2 ASP A 25 5.022 6.910 9.077 1.00 75.04 H new ATOM 0 HB3 ASP A 25 3.488 7.386 8.377 1.00 75.04 H new ATOM 421 N PHE A 26 4.409 5.929 5.532 1.00 54.33 N ATOM 422 CA PHE A 26 5.191 6.322 4.359 1.00 64.11 C ATOM 423 C PHE A 26 4.360 7.163 3.384 1.00 33.35 C ATOM 424 O PHE A 26 3.274 6.760 2.963 1.00 3.41 O ATOM 425 CB PHE A 26 5.744 5.079 3.645 1.00 14.03 C ATOM 426 CG PHE A 26 6.725 5.400 2.544 1.00 63.23 C ATOM 427 CD1 PHE A 26 8.059 5.648 2.840 1.00 14.01 C ATOM 428 CD2 PHE A 26 6.318 5.459 1.217 1.00 1.23 C ATOM 429 CE1 PHE A 26 8.962 5.949 1.839 1.00 72.40 C ATOM 430 CE2 PHE A 26 7.217 5.761 0.213 1.00 72.11 C ATOM 431 CZ PHE A 26 8.541 6.003 0.524 1.00 13.25 C ATOM 0 H PHE A 26 3.411 5.812 5.359 1.00 54.33 H new ATOM 0 HA PHE A 26 6.022 6.935 4.706 1.00 64.11 H new ATOM 0 HB2 PHE A 26 6.231 4.436 4.378 1.00 14.03 H new ATOM 0 HB3 PHE A 26 4.913 4.512 3.226 1.00 14.03 H new ATOM 0 HD1 PHE A 26 8.395 5.605 3.866 1.00 14.01 H new ATOM 0 HD2 PHE A 26 5.285 5.266 0.967 1.00 1.23 H new ATOM 0 HE1 PHE A 26 9.996 6.142 2.084 1.00 72.40 H new ATOM 0 HE2 PHE A 26 6.885 5.808 -0.814 1.00 72.11 H new ATOM 0 HZ PHE A 26 9.247 6.234 -0.260 1.00 13.25 H new ATOM 441 N GLU A 27 4.875 8.339 3.036 1.00 15.31 N ATOM 442 CA GLU A 27 4.251 9.185 2.020 1.00 32.43 C ATOM 443 C GLU A 27 4.814 8.837 0.634 1.00 40.34 C ATOM 444 O GLU A 27 6.031 8.849 0.432 1.00 64.54 O ATOM 445 CB GLU A 27 4.481 10.667 2.350 1.00 72.13 C ATOM 446 CG GLU A 27 3.771 11.633 1.408 1.00 71.13 C ATOM 447 CD GLU A 27 3.837 13.073 1.891 1.00 63.14 C ATOM 448 OE1 GLU A 27 4.820 13.777 1.568 1.00 2.03 O ATOM 449 OE2 GLU A 27 2.907 13.509 2.604 1.00 71.41 O ATOM 0 H GLU A 27 5.725 8.729 3.443 1.00 15.31 H new ATOM 0 HA GLU A 27 3.176 9.003 2.011 1.00 32.43 H new ATOM 0 HB2 GLU A 27 4.145 10.857 3.369 1.00 72.13 H new ATOM 0 HB3 GLU A 27 5.551 10.872 2.324 1.00 72.13 H new ATOM 0 HG2 GLU A 27 4.220 11.565 0.417 1.00 71.13 H new ATOM 0 HG3 GLU A 27 2.727 11.335 1.306 1.00 71.13 H new ATOM 456 N ALA A 28 3.927 8.534 -0.312 1.00 74.14 N ATOM 457 CA ALA A 28 4.319 8.021 -1.632 1.00 31.23 C ATOM 458 C ALA A 28 5.416 8.857 -2.308 1.00 3.43 C ATOM 459 O ALA A 28 5.213 10.031 -2.629 1.00 25.22 O ATOM 460 CB ALA A 28 3.101 7.946 -2.538 1.00 64.54 C ATOM 0 H ALA A 28 2.919 8.635 -0.190 1.00 74.14 H new ATOM 0 HA ALA A 28 4.736 7.027 -1.470 1.00 31.23 H new ATOM 0 HB1 ALA A 28 3.397 7.565 -3.515 1.00 64.54 H new ATOM 0 HB2 ALA A 28 2.361 7.278 -2.098 1.00 64.54 H new ATOM 0 HB3 ALA A 28 2.670 8.941 -2.652 1.00 64.54 H new ATOM 466 N ALA A 29 6.577 8.242 -2.524 1.00 41.24 N ATOM 467 CA ALA A 29 7.671 8.883 -3.255 1.00 53.11 C ATOM 468 C ALA A 29 7.337 8.958 -4.749 1.00 62.44 C ATOM 469 O ALA A 29 7.565 9.973 -5.412 1.00 72.53 O ATOM 470 CB ALA A 29 8.973 8.120 -3.032 1.00 72.30 C ATOM 0 H ALA A 29 6.786 7.297 -2.202 1.00 41.24 H new ATOM 0 HA ALA A 29 7.799 9.898 -2.879 1.00 53.11 H new ATOM 0 HB1 ALA A 29 9.779 8.607 -3.581 1.00 72.30 H new ATOM 0 HB2 ALA A 29 9.212 8.111 -1.969 1.00 72.30 H new ATOM 0 HB3 ALA A 29 8.860 7.096 -3.387 1.00 72.30 H new ATOM 476 N GLU A 30 6.789 7.867 -5.272 1.00 72.32 N ATOM 477 CA GLU A 30 6.285 7.830 -6.646 1.00 74.45 C ATOM 478 C GLU A 30 4.820 8.283 -6.684 1.00 23.53 C ATOM 479 O GLU A 30 4.045 7.961 -5.787 1.00 50.35 O ATOM 480 CB GLU A 30 6.390 6.407 -7.220 1.00 11.45 C ATOM 481 CG GLU A 30 7.805 5.847 -7.276 1.00 65.32 C ATOM 482 CD GLU A 30 8.715 6.640 -8.196 1.00 62.43 C ATOM 483 OE1 GLU A 30 8.425 6.708 -9.406 1.00 73.55 O ATOM 484 OE2 GLU A 30 9.731 7.186 -7.717 1.00 5.35 O ATOM 0 H GLU A 30 6.681 6.989 -4.764 1.00 72.32 H new ATOM 0 HA GLU A 30 6.891 8.505 -7.250 1.00 74.45 H new ATOM 0 HB2 GLU A 30 5.773 5.740 -6.617 1.00 11.45 H new ATOM 0 HB3 GLU A 30 5.972 6.404 -8.227 1.00 11.45 H new ATOM 0 HG2 GLU A 30 8.228 5.840 -6.272 1.00 65.32 H new ATOM 0 HG3 GLU A 30 7.768 4.811 -7.613 1.00 65.32 H new ATOM 491 N ASP A 31 4.432 9.028 -7.714 1.00 63.12 N ATOM 492 CA ASP A 31 3.028 9.422 -7.879 1.00 52.11 C ATOM 493 C ASP A 31 2.157 8.206 -8.246 1.00 60.03 C ATOM 494 O ASP A 31 0.941 8.219 -8.059 1.00 33.11 O ATOM 495 CB ASP A 31 2.910 10.528 -8.931 1.00 1.04 C ATOM 496 CG ASP A 31 3.571 11.814 -8.468 1.00 52.12 C ATOM 497 OD1 ASP A 31 2.954 12.546 -7.663 1.00 40.12 O ATOM 498 OD2 ASP A 31 4.709 12.102 -8.897 1.00 44.43 O ATOM 0 H ASP A 31 5.059 9.370 -8.442 1.00 63.12 H new ATOM 0 HA ASP A 31 2.661 9.814 -6.930 1.00 52.11 H new ATOM 0 HB2 ASP A 31 3.371 10.196 -9.861 1.00 1.04 H new ATOM 0 HB3 ASP A 31 1.858 10.716 -9.145 1.00 1.04 H new ATOM 503 N ASN A 32 2.800 7.153 -8.751 1.00 1.01 N ATOM 504 CA ASN A 32 2.128 5.874 -9.016 1.00 21.45 C ATOM 505 C ASN A 32 2.041 5.028 -7.726 1.00 24.14 C ATOM 506 O ASN A 32 1.417 3.966 -7.698 1.00 30.24 O ATOM 507 CB ASN A 32 2.894 5.112 -10.110 1.00 64.03 C ATOM 508 CG ASN A 32 2.130 3.925 -10.669 1.00 32.34 C ATOM 509 OD1 ASN A 32 0.824 4.054 -10.807 1.00 14.12 O flip ATOM 510 ND2 ASN A 32 2.716 2.905 -11.008 1.00 5.32 N flip ATOM 0 H ASN A 32 3.792 7.158 -8.987 1.00 1.01 H new ATOM 0 HA ASN A 32 1.112 6.069 -9.359 1.00 21.45 H new ATOM 0 HB2 ASN A 32 3.129 5.799 -10.923 1.00 64.03 H new ATOM 0 HB3 ASN A 32 3.843 4.764 -9.703 1.00 64.03 H new ATOM 0 HD21 ASN A 32 3.727 2.834 -10.889 1.00 5.32 H new ATOM 0 HD22 ASN A 32 2.194 2.126 -11.409 1.00 5.32 H new ATOM 517 N GLU A 33 2.672 5.529 -6.663 1.00 30.24 N ATOM 518 CA GLU A 33 2.702 4.855 -5.360 1.00 73.55 C ATOM 519 C GLU A 33 1.603 5.420 -4.435 1.00 43.33 C ATOM 520 O GLU A 33 1.092 6.519 -4.666 1.00 54.34 O ATOM 521 CB GLU A 33 4.105 5.023 -4.745 1.00 12.42 C ATOM 522 CG GLU A 33 4.331 4.305 -3.419 1.00 40.04 C ATOM 523 CD GLU A 33 5.797 4.309 -3.004 1.00 75.50 C ATOM 524 OE1 GLU A 33 6.396 5.405 -2.919 1.00 52.42 O ATOM 525 OE2 GLU A 33 6.368 3.214 -2.792 1.00 21.10 O ATOM 0 H GLU A 33 3.178 6.415 -6.679 1.00 30.24 H new ATOM 0 HA GLU A 33 2.499 3.791 -5.486 1.00 73.55 H new ATOM 0 HB2 GLU A 33 4.843 4.664 -5.463 1.00 12.42 H new ATOM 0 HB3 GLU A 33 4.294 6.087 -4.599 1.00 12.42 H new ATOM 0 HG2 GLU A 33 3.734 4.784 -2.643 1.00 40.04 H new ATOM 0 HG3 GLU A 33 3.981 3.276 -3.501 1.00 40.04 H new ATOM 532 N LEU A 34 1.238 4.673 -3.395 1.00 51.12 N ATOM 533 CA LEU A 34 0.095 5.028 -2.537 1.00 55.54 C ATOM 534 C LEU A 34 0.551 5.597 -1.175 1.00 41.43 C ATOM 535 O LEU A 34 1.478 5.083 -0.550 1.00 31.40 O ATOM 536 CB LEU A 34 -0.798 3.786 -2.330 1.00 53.21 C ATOM 537 CG LEU A 34 -2.315 4.014 -2.468 1.00 32.20 C ATOM 538 CD1 LEU A 34 -3.076 2.706 -2.259 1.00 71.11 C ATOM 539 CD2 LEU A 34 -2.800 5.086 -1.492 1.00 12.11 C ATOM 0 H LEU A 34 1.715 3.814 -3.120 1.00 51.12 H new ATOM 0 HA LEU A 34 -0.475 5.811 -3.038 1.00 55.54 H new ATOM 0 HB2 LEU A 34 -0.498 3.024 -3.049 1.00 53.21 H new ATOM 0 HB3 LEU A 34 -0.600 3.382 -1.337 1.00 53.21 H new ATOM 0 HG LEU A 34 -2.513 4.368 -3.480 1.00 32.20 H new ATOM 0 HD11 LEU A 34 -4.146 2.887 -2.360 1.00 71.11 H new ATOM 0 HD12 LEU A 34 -2.759 1.977 -3.005 1.00 71.11 H new ATOM 0 HD13 LEU A 34 -2.867 2.319 -1.262 1.00 71.11 H new ATOM 0 HD21 LEU A 34 -3.874 5.227 -1.611 1.00 12.11 H new ATOM 0 HD22 LEU A 34 -2.586 4.772 -0.470 1.00 12.11 H new ATOM 0 HD23 LEU A 34 -2.286 6.025 -1.698 1.00 12.11 H new ATOM 551 N THR A 35 -0.122 6.661 -0.725 1.00 71.42 N ATOM 552 CA THR A 35 0.193 7.306 0.564 1.00 24.13 C ATOM 553 C THR A 35 -0.810 6.919 1.661 1.00 4.25 C ATOM 554 O THR A 35 -2.011 7.174 1.541 1.00 14.20 O ATOM 555 CB THR A 35 0.201 8.854 0.442 1.00 52.31 C ATOM 556 OG1 THR A 35 1.194 9.278 -0.500 1.00 70.04 O ATOM 557 CG2 THR A 35 0.469 9.520 1.792 1.00 64.01 C ATOM 0 H THR A 35 -0.891 7.098 -1.232 1.00 71.42 H new ATOM 0 HA THR A 35 1.186 6.951 0.839 1.00 24.13 H new ATOM 0 HB THR A 35 -0.786 9.158 0.094 1.00 52.31 H new ATOM 0 HG1 THR A 35 1.185 10.256 -0.567 1.00 70.04 H new ATOM 0 HG21 THR A 35 0.468 10.603 1.670 1.00 64.01 H new ATOM 0 HG22 THR A 35 -0.309 9.234 2.500 1.00 64.01 H new ATOM 0 HG23 THR A 35 1.440 9.199 2.170 1.00 64.01 H new ATOM 565 N PHE A 36 -0.308 6.307 2.730 1.00 15.11 N ATOM 566 CA PHE A 36 -1.125 6.003 3.914 1.00 24.43 C ATOM 567 C PHE A 36 -0.245 5.790 5.160 1.00 11.12 C ATOM 568 O PHE A 36 0.973 5.639 5.057 1.00 41.33 O ATOM 569 CB PHE A 36 -2.045 4.793 3.666 1.00 31.00 C ATOM 570 CG PHE A 36 -1.365 3.592 3.057 1.00 22.02 C ATOM 571 CD1 PHE A 36 -0.716 2.663 3.853 1.00 3.40 C ATOM 572 CD2 PHE A 36 -1.393 3.388 1.683 1.00 12.20 C ATOM 573 CE1 PHE A 36 -0.111 1.556 3.293 1.00 23.24 C ATOM 574 CE2 PHE A 36 -0.785 2.286 1.119 1.00 11.52 C ATOM 575 CZ PHE A 36 -0.144 1.369 1.923 1.00 52.42 C ATOM 0 H PHE A 36 0.664 6.008 2.806 1.00 15.11 H new ATOM 0 HA PHE A 36 -1.763 6.866 4.103 1.00 24.43 H new ATOM 0 HB2 PHE A 36 -2.494 4.496 4.614 1.00 31.00 H new ATOM 0 HB3 PHE A 36 -2.859 5.102 3.011 1.00 31.00 H new ATOM 0 HD1 PHE A 36 -0.683 2.806 4.923 1.00 3.40 H new ATOM 0 HD2 PHE A 36 -1.897 4.102 1.048 1.00 12.20 H new ATOM 0 HE1 PHE A 36 0.388 0.836 3.925 1.00 23.24 H new ATOM 0 HE2 PHE A 36 -0.811 2.142 0.049 1.00 11.52 H new ATOM 0 HZ PHE A 36 0.332 0.505 1.484 1.00 52.42 H new ATOM 585 N LYS A 37 -0.873 5.793 6.335 1.00 34.54 N ATOM 586 CA LYS A 37 -0.144 5.721 7.607 1.00 32.33 C ATOM 587 C LYS A 37 -0.276 4.338 8.270 1.00 43.34 C ATOM 588 O LYS A 37 -1.093 3.507 7.862 1.00 3.13 O ATOM 589 CB LYS A 37 -0.659 6.812 8.560 1.00 41.14 C ATOM 590 CG LYS A 37 -0.658 8.218 7.956 1.00 4.02 C ATOM 591 CD LYS A 37 0.745 8.681 7.568 1.00 23.41 C ATOM 592 CE LYS A 37 0.721 10.061 6.917 1.00 54.54 C ATOM 593 NZ LYS A 37 0.137 11.095 7.811 1.00 35.10 N ATOM 0 H LYS A 37 -1.887 5.845 6.436 1.00 34.54 H new ATOM 0 HA LYS A 37 0.913 5.882 7.395 1.00 32.33 H new ATOM 0 HB2 LYS A 37 -1.674 6.561 8.868 1.00 41.14 H new ATOM 0 HB3 LYS A 37 -0.044 6.814 9.460 1.00 41.14 H new ATOM 0 HG2 LYS A 37 -1.300 8.233 7.075 1.00 4.02 H new ATOM 0 HG3 LYS A 37 -1.084 8.919 8.673 1.00 4.02 H new ATOM 0 HD2 LYS A 37 1.378 8.707 8.455 1.00 23.41 H new ATOM 0 HD3 LYS A 37 1.189 7.961 6.880 1.00 23.41 H new ATOM 0 HE2 LYS A 37 1.736 10.350 6.645 1.00 54.54 H new ATOM 0 HE3 LYS A 37 0.145 10.015 5.993 1.00 54.54 H new ATOM 0 HZ1 LYS A 37 0.294 12.038 7.401 1.00 35.10 H new ATOM 0 HZ2 LYS A 37 -0.884 10.928 7.914 1.00 35.10 H new ATOM 0 HZ3 LYS A 37 0.592 11.044 8.745 1.00 35.10 H new ATOM 607 N ALA A 38 0.528 4.113 9.309 1.00 42.21 N ATOM 608 CA ALA A 38 0.527 2.842 10.041 1.00 31.44 C ATOM 609 C ALA A 38 -0.811 2.601 10.759 1.00 24.11 C ATOM 610 O ALA A 38 -1.381 3.511 11.364 1.00 0.22 O ATOM 611 CB ALA A 38 1.683 2.815 11.037 1.00 4.14 C ATOM 0 H ALA A 38 1.194 4.798 9.666 1.00 42.21 H new ATOM 0 HA ALA A 38 0.658 2.036 9.319 1.00 31.44 H new ATOM 0 HB1 ALA A 38 1.676 1.868 11.577 1.00 4.14 H new ATOM 0 HB2 ALA A 38 2.627 2.921 10.502 1.00 4.14 H new ATOM 0 HB3 ALA A 38 1.573 3.637 11.744 1.00 4.14 H new ATOM 617 N GLY A 39 -1.307 1.368 10.682 1.00 32.01 N ATOM 618 CA GLY A 39 -2.578 1.015 11.308 1.00 11.14 C ATOM 619 C GLY A 39 -3.738 0.951 10.314 1.00 31.32 C ATOM 620 O GLY A 39 -4.718 0.237 10.539 1.00 34.45 O ATOM 0 H GLY A 39 -0.849 0.599 10.193 1.00 32.01 H new ATOM 0 HA2 GLY A 39 -2.477 0.049 11.802 1.00 11.14 H new ATOM 0 HA3 GLY A 39 -2.810 1.746 12.082 1.00 11.14 H new ATOM 624 N GLU A 40 -3.621 1.693 9.208 1.00 43.45 N ATOM 625 CA GLU A 40 -4.676 1.744 8.188 1.00 14.53 C ATOM 626 C GLU A 40 -4.788 0.422 7.409 1.00 0.03 C ATOM 627 O GLU A 40 -3.807 -0.311 7.255 1.00 11.24 O ATOM 628 CB GLU A 40 -4.424 2.906 7.214 1.00 23.32 C ATOM 629 CG GLU A 40 -4.561 4.288 7.851 1.00 25.22 C ATOM 630 CD GLU A 40 -4.350 5.430 6.862 1.00 24.34 C ATOM 631 OE1 GLU A 40 -4.969 5.407 5.778 1.00 71.24 O ATOM 632 OE2 GLU A 40 -3.565 6.354 7.162 1.00 1.41 O ATOM 0 H GLU A 40 -2.806 2.268 8.995 1.00 43.45 H new ATOM 0 HA GLU A 40 -5.621 1.905 8.708 1.00 14.53 H new ATOM 0 HB2 GLU A 40 -3.422 2.807 6.797 1.00 23.32 H new ATOM 0 HB3 GLU A 40 -5.125 2.829 6.383 1.00 23.32 H new ATOM 0 HG2 GLU A 40 -5.552 4.379 8.295 1.00 25.22 H new ATOM 0 HG3 GLU A 40 -3.838 4.380 8.662 1.00 25.22 H new ATOM 639 N ILE A 41 -5.993 0.131 6.920 1.00 4.41 N ATOM 640 CA ILE A 41 -6.262 -1.094 6.157 1.00 40.21 C ATOM 641 C ILE A 41 -6.388 -0.799 4.652 1.00 41.31 C ATOM 642 O ILE A 41 -7.176 0.052 4.232 1.00 53.12 O ATOM 643 CB ILE A 41 -7.557 -1.786 6.659 1.00 15.02 C ATOM 644 CG1 ILE A 41 -7.423 -2.167 8.146 1.00 4.15 C ATOM 645 CG2 ILE A 41 -7.881 -3.020 5.816 1.00 51.31 C ATOM 646 CD1 ILE A 41 -6.297 -3.138 8.439 1.00 34.41 C ATOM 0 H ILE A 41 -6.808 0.732 7.039 1.00 4.41 H new ATOM 0 HA ILE A 41 -5.416 -1.763 6.313 1.00 40.21 H new ATOM 0 HB ILE A 41 -8.381 -1.080 6.554 1.00 15.02 H new ATOM 0 HG12 ILE A 41 -7.266 -1.260 8.729 1.00 4.15 H new ATOM 0 HG13 ILE A 41 -8.362 -2.605 8.484 1.00 4.15 H new ATOM 0 HG21 ILE A 41 -8.793 -3.486 6.189 1.00 51.31 H new ATOM 0 HG22 ILE A 41 -8.024 -2.724 4.777 1.00 51.31 H new ATOM 0 HG23 ILE A 41 -7.057 -3.731 5.881 1.00 51.31 H new ATOM 0 HD11 ILE A 41 -6.271 -3.354 9.507 1.00 34.41 H new ATOM 0 HD12 ILE A 41 -6.461 -4.063 7.886 1.00 34.41 H new ATOM 0 HD13 ILE A 41 -5.348 -2.697 8.135 1.00 34.41 H new ATOM 658 N ILE A 42 -5.601 -1.512 3.847 1.00 3.11 N ATOM 659 CA ILE A 42 -5.566 -1.307 2.392 1.00 24.13 C ATOM 660 C ILE A 42 -6.042 -2.564 1.645 1.00 55.20 C ATOM 661 O ILE A 42 -5.497 -3.650 1.843 1.00 23.01 O ATOM 662 CB ILE A 42 -4.128 -0.964 1.896 1.00 11.05 C ATOM 663 CG1 ILE A 42 -3.518 0.203 2.698 1.00 24.14 C ATOM 664 CG2 ILE A 42 -4.135 -0.643 0.400 1.00 3.13 C ATOM 665 CD1 ILE A 42 -2.982 -0.197 4.062 1.00 3.25 C ATOM 0 H ILE A 42 -4.972 -2.244 4.178 1.00 3.11 H new ATOM 0 HA ILE A 42 -6.234 -0.472 2.181 1.00 24.13 H new ATOM 0 HB ILE A 42 -3.503 -1.842 2.060 1.00 11.05 H new ATOM 0 HG12 ILE A 42 -2.709 0.646 2.117 1.00 24.14 H new ATOM 0 HG13 ILE A 42 -4.276 0.975 2.829 1.00 24.14 H new ATOM 0 HG21 ILE A 42 -3.122 -0.406 0.074 1.00 3.13 H new ATOM 0 HG22 ILE A 42 -4.503 -1.506 -0.156 1.00 3.13 H new ATOM 0 HG23 ILE A 42 -4.785 0.212 0.214 1.00 3.13 H new ATOM 0 HD11 ILE A 42 -2.570 0.679 4.562 1.00 3.25 H new ATOM 0 HD12 ILE A 42 -3.791 -0.612 4.664 1.00 3.25 H new ATOM 0 HD13 ILE A 42 -2.200 -0.946 3.940 1.00 3.25 H new ATOM 677 N THR A 43 -7.049 -2.426 0.785 1.00 22.33 N ATOM 678 CA THR A 43 -7.497 -3.555 -0.044 1.00 73.33 C ATOM 679 C THR A 43 -6.511 -3.799 -1.193 1.00 11.01 C ATOM 680 O THR A 43 -6.449 -3.022 -2.144 1.00 62.50 O ATOM 681 CB THR A 43 -8.912 -3.318 -0.635 1.00 42.32 C ATOM 682 OG1 THR A 43 -9.860 -3.100 0.423 1.00 62.52 O ATOM 683 CG2 THR A 43 -9.363 -4.510 -1.477 1.00 13.33 C ATOM 0 H THR A 43 -7.567 -1.559 0.641 1.00 22.33 H new ATOM 0 HA THR A 43 -7.538 -4.429 0.606 1.00 73.33 H new ATOM 0 HB THR A 43 -8.864 -2.436 -1.274 1.00 42.32 H new ATOM 0 HG1 THR A 43 -10.749 -2.950 0.040 1.00 62.52 H new ATOM 0 HG21 THR A 43 -10.358 -4.316 -1.878 1.00 13.33 H new ATOM 0 HG22 THR A 43 -8.663 -4.661 -2.299 1.00 13.33 H new ATOM 0 HG23 THR A 43 -9.391 -5.405 -0.855 1.00 13.33 H new ATOM 691 N VAL A 44 -5.738 -4.881 -1.108 1.00 41.23 N ATOM 692 CA VAL A 44 -4.727 -5.179 -2.126 1.00 72.11 C ATOM 693 C VAL A 44 -5.348 -5.897 -3.340 1.00 41.33 C ATOM 694 O VAL A 44 -5.725 -7.069 -3.278 1.00 74.12 O ATOM 695 CB VAL A 44 -3.540 -5.995 -1.543 1.00 53.00 C ATOM 696 CG1 VAL A 44 -4.018 -7.256 -0.835 1.00 61.11 C ATOM 697 CG2 VAL A 44 -2.525 -6.336 -2.633 1.00 71.50 C ATOM 0 H VAL A 44 -5.790 -5.563 -0.351 1.00 41.23 H new ATOM 0 HA VAL A 44 -4.328 -4.224 -2.468 1.00 72.11 H new ATOM 0 HB VAL A 44 -3.047 -5.368 -0.800 1.00 53.00 H new ATOM 0 HG11 VAL A 44 -3.159 -7.800 -0.441 1.00 61.11 H new ATOM 0 HG12 VAL A 44 -4.682 -6.983 -0.015 1.00 61.11 H new ATOM 0 HG13 VAL A 44 -4.555 -7.889 -1.542 1.00 61.11 H new ATOM 0 HG21 VAL A 44 -1.704 -6.907 -2.200 1.00 71.50 H new ATOM 0 HG22 VAL A 44 -3.010 -6.929 -3.409 1.00 71.50 H new ATOM 0 HG23 VAL A 44 -2.136 -5.416 -3.069 1.00 71.50 H new ATOM 707 N LEU A 45 -5.460 -5.164 -4.444 1.00 22.41 N ATOM 708 CA LEU A 45 -6.114 -5.653 -5.662 1.00 24.15 C ATOM 709 C LEU A 45 -5.206 -6.597 -6.468 1.00 52.31 C ATOM 710 O LEU A 45 -5.685 -7.367 -7.304 1.00 74.44 O ATOM 711 CB LEU A 45 -6.524 -4.461 -6.538 1.00 22.44 C ATOM 712 CG LEU A 45 -7.412 -3.412 -5.847 1.00 53.24 C ATOM 713 CD1 LEU A 45 -7.692 -2.235 -6.782 1.00 55.22 C ATOM 714 CD2 LEU A 45 -8.719 -4.041 -5.365 1.00 43.00 C ATOM 0 H LEU A 45 -5.101 -4.213 -4.523 1.00 22.41 H new ATOM 0 HA LEU A 45 -6.994 -6.221 -5.360 1.00 24.15 H new ATOM 0 HB2 LEU A 45 -5.621 -3.968 -6.898 1.00 22.44 H new ATOM 0 HB3 LEU A 45 -7.051 -4.839 -7.414 1.00 22.44 H new ATOM 0 HG LEU A 45 -6.874 -3.034 -4.977 1.00 53.24 H new ATOM 0 HD11 LEU A 45 -8.322 -1.506 -6.271 1.00 55.22 H new ATOM 0 HD12 LEU A 45 -6.751 -1.765 -7.067 1.00 55.22 H new ATOM 0 HD13 LEU A 45 -8.203 -2.594 -7.675 1.00 55.22 H new ATOM 0 HD21 LEU A 45 -9.331 -3.281 -4.880 1.00 43.00 H new ATOM 0 HD22 LEU A 45 -9.260 -4.453 -6.217 1.00 43.00 H new ATOM 0 HD23 LEU A 45 -8.499 -4.838 -4.655 1.00 43.00 H new ATOM 726 N ASP A 46 -3.901 -6.523 -6.227 1.00 2.23 N ATOM 727 CA ASP A 46 -2.930 -7.340 -6.963 1.00 64.45 C ATOM 728 C ASP A 46 -1.720 -7.699 -6.082 1.00 53.24 C ATOM 729 O ASP A 46 -0.985 -6.818 -5.632 1.00 41.51 O ATOM 730 CB ASP A 46 -2.476 -6.582 -8.218 1.00 34.53 C ATOM 731 CG ASP A 46 -1.721 -7.465 -9.191 1.00 24.43 C ATOM 732 OD1 ASP A 46 -2.366 -8.288 -9.874 1.00 71.11 O ATOM 733 OD2 ASP A 46 -0.485 -7.348 -9.277 1.00 42.14 O ATOM 0 H ASP A 46 -3.487 -5.906 -5.528 1.00 2.23 H new ATOM 0 HA ASP A 46 -3.410 -8.274 -7.256 1.00 64.45 H new ATOM 0 HB2 ASP A 46 -3.348 -6.159 -8.718 1.00 34.53 H new ATOM 0 HB3 ASP A 46 -1.841 -5.746 -7.923 1.00 34.53 H new ATOM 738 N ASP A 47 -1.526 -8.997 -5.841 1.00 63.13 N ATOM 739 CA ASP A 47 -0.456 -9.486 -4.954 1.00 74.03 C ATOM 740 C ASP A 47 0.366 -10.614 -5.610 1.00 22.41 C ATOM 741 O ASP A 47 1.057 -11.371 -4.927 1.00 31.11 O ATOM 742 CB ASP A 47 -1.082 -9.998 -3.653 1.00 52.51 C ATOM 743 CG ASP A 47 -1.979 -11.212 -3.874 1.00 42.34 C ATOM 744 OD1 ASP A 47 -2.673 -11.275 -4.915 1.00 52.21 O ATOM 745 OD2 ASP A 47 -2.005 -12.107 -3.003 1.00 24.34 O ATOM 0 H ASP A 47 -2.098 -9.737 -6.249 1.00 63.13 H new ATOM 0 HA ASP A 47 0.223 -8.658 -4.753 1.00 74.03 H new ATOM 0 HB2 ASP A 47 -0.290 -10.258 -2.951 1.00 52.51 H new ATOM 0 HB3 ASP A 47 -1.664 -9.199 -3.195 1.00 52.51 H new ATOM 750 N SER A 48 0.292 -10.718 -6.934 1.00 65.01 N ATOM 751 CA SER A 48 0.959 -11.807 -7.666 1.00 60.11 C ATOM 752 C SER A 48 2.483 -11.622 -7.720 1.00 30.12 C ATOM 753 O SER A 48 3.242 -12.536 -7.381 1.00 24.34 O ATOM 754 CB SER A 48 0.397 -11.919 -9.088 1.00 24.23 C ATOM 755 OG SER A 48 -0.965 -12.325 -9.072 1.00 32.00 O ATOM 0 H SER A 48 -0.221 -10.066 -7.527 1.00 65.01 H new ATOM 0 HA SER A 48 0.757 -12.729 -7.121 1.00 60.11 H new ATOM 0 HB2 SER A 48 0.487 -10.958 -9.594 1.00 24.23 H new ATOM 0 HB3 SER A 48 0.986 -12.636 -9.659 1.00 24.23 H new ATOM 0 HG SER A 48 -1.299 -12.387 -9.991 1.00 32.00 H new ATOM 761 N ASP A 49 2.932 -10.449 -8.153 1.00 71.41 N ATOM 762 CA ASP A 49 4.363 -10.155 -8.234 1.00 73.33 C ATOM 763 C ASP A 49 4.910 -9.761 -6.849 1.00 62.22 C ATOM 764 O ASP A 49 4.489 -8.758 -6.275 1.00 53.41 O ATOM 765 CB ASP A 49 4.616 -9.030 -9.243 1.00 3.21 C ATOM 766 CG ASP A 49 6.095 -8.840 -9.541 1.00 24.12 C ATOM 767 OD1 ASP A 49 6.800 -8.219 -8.720 1.00 52.41 O ATOM 768 OD2 ASP A 49 6.564 -9.326 -10.593 1.00 41.12 O ATOM 0 H ASP A 49 2.328 -9.684 -8.454 1.00 71.41 H new ATOM 0 HA ASP A 49 4.883 -11.052 -8.570 1.00 73.33 H new ATOM 0 HB2 ASP A 49 4.087 -9.251 -10.170 1.00 3.21 H new ATOM 0 HB3 ASP A 49 4.204 -8.098 -8.855 1.00 3.21 H new ATOM 773 N PRO A 50 5.872 -10.532 -6.302 1.00 33.42 N ATOM 774 CA PRO A 50 6.403 -10.304 -4.942 1.00 62.05 C ATOM 775 C PRO A 50 6.988 -8.893 -4.731 1.00 2.22 C ATOM 776 O PRO A 50 7.108 -8.430 -3.598 1.00 35.52 O ATOM 777 CB PRO A 50 7.507 -11.368 -4.803 1.00 72.21 C ATOM 778 CG PRO A 50 7.159 -12.416 -5.807 1.00 14.11 C ATOM 779 CD PRO A 50 6.524 -11.683 -6.957 1.00 71.14 C ATOM 0 HA PRO A 50 5.611 -10.379 -4.197 1.00 62.05 H new ATOM 0 HB2 PRO A 50 8.492 -10.944 -5.000 1.00 72.21 H new ATOM 0 HB3 PRO A 50 7.533 -11.780 -3.794 1.00 72.21 H new ATOM 0 HG2 PRO A 50 8.047 -12.958 -6.131 1.00 14.11 H new ATOM 0 HG3 PRO A 50 6.474 -13.151 -5.385 1.00 14.11 H new ATOM 0 HD2 PRO A 50 7.265 -11.363 -7.690 1.00 71.14 H new ATOM 0 HD3 PRO A 50 5.803 -12.308 -7.485 1.00 71.14 H new ATOM 787 N ASN A 51 7.350 -8.217 -5.823 1.00 63.45 N ATOM 788 CA ASN A 51 7.973 -6.886 -5.746 1.00 4.22 C ATOM 789 C ASN A 51 6.965 -5.755 -6.014 1.00 34.33 C ATOM 790 O ASN A 51 7.163 -4.621 -5.567 1.00 41.43 O ATOM 791 CB ASN A 51 9.130 -6.798 -6.750 1.00 32.21 C ATOM 792 CG ASN A 51 10.245 -7.785 -6.450 1.00 2.54 C ATOM 793 OD1 ASN A 51 10.497 -8.127 -5.298 1.00 20.42 O ATOM 794 ND2 ASN A 51 10.914 -8.256 -7.479 1.00 45.51 N ATOM 0 H ASN A 51 7.224 -8.566 -6.773 1.00 63.45 H new ATOM 0 HA ASN A 51 8.347 -6.757 -4.730 1.00 4.22 H new ATOM 0 HB2 ASN A 51 8.748 -6.982 -7.754 1.00 32.21 H new ATOM 0 HB3 ASN A 51 9.535 -5.786 -6.743 1.00 32.21 H new ATOM 0 HD21 ASN A 51 11.668 -8.927 -7.333 1.00 45.51 H new ATOM 0 HD22 ASN A 51 10.679 -7.951 -8.423 1.00 45.51 H new ATOM 801 N TRP A 52 5.889 -6.054 -6.747 1.00 45.30 N ATOM 802 CA TRP A 52 4.909 -5.025 -7.133 1.00 61.51 C ATOM 803 C TRP A 52 3.480 -5.363 -6.672 1.00 10.24 C ATOM 804 O TRP A 52 2.760 -6.116 -7.332 1.00 60.03 O ATOM 805 CB TRP A 52 4.929 -4.816 -8.654 1.00 75.34 C ATOM 806 CG TRP A 52 6.233 -4.271 -9.172 1.00 53.03 C ATOM 807 CD1 TRP A 52 7.291 -4.986 -9.654 1.00 44.13 C ATOM 808 CD2 TRP A 52 6.612 -2.891 -9.252 1.00 44.05 C ATOM 809 NE1 TRP A 52 8.299 -4.134 -10.035 1.00 25.55 N ATOM 810 CE2 TRP A 52 7.909 -2.845 -9.794 1.00 12.53 C ATOM 811 CE3 TRP A 52 5.977 -1.691 -8.920 1.00 65.50 C ATOM 812 CZ2 TRP A 52 8.583 -1.648 -10.010 1.00 72.12 C ATOM 813 CZ3 TRP A 52 6.648 -0.500 -9.134 1.00 63.11 C ATOM 814 CH2 TRP A 52 7.939 -0.488 -9.676 1.00 22.35 C ATOM 0 H TRP A 52 5.672 -6.992 -7.085 1.00 45.30 H new ATOM 0 HA TRP A 52 5.203 -4.105 -6.628 1.00 61.51 H new ATOM 0 HB2 TRP A 52 4.722 -5.767 -9.145 1.00 75.34 H new ATOM 0 HB3 TRP A 52 4.125 -4.133 -8.929 1.00 75.34 H new ATOM 0 HD1 TRP A 52 7.330 -6.063 -9.725 1.00 44.13 H new ATOM 0 HE1 TRP A 52 9.194 -4.417 -10.434 1.00 25.55 H new ATOM 0 HE3 TRP A 52 4.980 -1.693 -8.504 1.00 65.50 H new ATOM 0 HZ2 TRP A 52 9.579 -1.635 -10.427 1.00 72.12 H new ATOM 0 HZ3 TRP A 52 6.169 0.434 -8.879 1.00 63.11 H new ATOM 0 HH2 TRP A 52 8.437 0.457 -9.834 1.00 22.35 H new ATOM 825 N TRP A 53 3.075 -4.794 -5.537 1.00 30.44 N ATOM 826 CA TRP A 53 1.706 -4.960 -5.017 1.00 62.51 C ATOM 827 C TRP A 53 0.847 -3.705 -5.256 1.00 45.12 C ATOM 828 O TRP A 53 1.320 -2.573 -5.117 1.00 31.12 O ATOM 829 CB TRP A 53 1.740 -5.284 -3.513 1.00 21.15 C ATOM 830 CG TRP A 53 2.126 -6.706 -3.202 1.00 35.33 C ATOM 831 CD1 TRP A 53 2.975 -7.509 -3.912 1.00 13.14 C ATOM 832 CD2 TRP A 53 1.678 -7.490 -2.088 1.00 0.41 C ATOM 833 NE1 TRP A 53 3.066 -8.744 -3.316 1.00 73.00 N ATOM 834 CE2 TRP A 53 2.284 -8.757 -2.192 1.00 45.22 C ATOM 835 CE3 TRP A 53 0.819 -7.244 -1.014 1.00 2.11 C ATOM 836 CZ2 TRP A 53 2.058 -9.772 -1.263 1.00 63.02 C ATOM 837 CZ3 TRP A 53 0.597 -8.250 -0.092 1.00 64.35 C ATOM 838 CH2 TRP A 53 1.213 -9.500 -0.222 1.00 52.31 C ATOM 0 H TRP A 53 3.674 -4.210 -4.953 1.00 30.44 H new ATOM 0 HA TRP A 53 1.252 -5.789 -5.559 1.00 62.51 H new ATOM 0 HB2 TRP A 53 2.444 -4.612 -3.023 1.00 21.15 H new ATOM 0 HB3 TRP A 53 0.757 -5.083 -3.086 1.00 21.15 H new ATOM 0 HD1 TRP A 53 3.498 -7.215 -4.810 1.00 13.14 H new ATOM 0 HE1 TRP A 53 3.626 -9.526 -3.656 1.00 73.00 H new ATOM 0 HE3 TRP A 53 0.336 -6.284 -0.906 1.00 2.11 H new ATOM 0 HZ2 TRP A 53 2.532 -10.737 -1.362 1.00 63.02 H new ATOM 0 HZ3 TRP A 53 -0.063 -8.068 0.743 1.00 64.35 H new ATOM 0 HH2 TRP A 53 1.017 -10.265 0.514 1.00 52.31 H new ATOM 849 N LYS A 54 -0.425 -3.919 -5.594 1.00 54.12 N ATOM 850 CA LYS A 54 -1.371 -2.823 -5.859 1.00 55.24 C ATOM 851 C LYS A 54 -2.532 -2.828 -4.851 1.00 74.42 C ATOM 852 O LYS A 54 -3.139 -3.870 -4.597 1.00 33.00 O ATOM 853 CB LYS A 54 -1.922 -2.941 -7.289 1.00 22.31 C ATOM 854 CG LYS A 54 -2.958 -1.878 -7.645 1.00 20.45 C ATOM 855 CD LYS A 54 -3.432 -2.017 -9.090 1.00 43.10 C ATOM 856 CE LYS A 54 -4.470 -0.963 -9.452 1.00 34.13 C ATOM 857 NZ LYS A 54 -4.858 -1.036 -10.886 1.00 4.12 N ATOM 0 H LYS A 54 -0.831 -4.849 -5.693 1.00 54.12 H new ATOM 0 HA LYS A 54 -0.833 -1.881 -5.751 1.00 55.24 H new ATOM 0 HB2 LYS A 54 -1.093 -2.876 -7.993 1.00 22.31 H new ATOM 0 HB3 LYS A 54 -2.370 -3.927 -7.415 1.00 22.31 H new ATOM 0 HG2 LYS A 54 -3.811 -1.961 -6.972 1.00 20.45 H new ATOM 0 HG3 LYS A 54 -2.529 -0.887 -7.496 1.00 20.45 H new ATOM 0 HD2 LYS A 54 -2.578 -1.931 -9.762 1.00 43.10 H new ATOM 0 HD3 LYS A 54 -3.856 -3.010 -9.239 1.00 43.10 H new ATOM 0 HE2 LYS A 54 -5.355 -1.096 -8.829 1.00 34.13 H new ATOM 0 HE3 LYS A 54 -4.072 0.028 -9.233 1.00 34.13 H new ATOM 0 HZ1 LYS A 54 -5.566 -0.302 -11.092 1.00 4.12 H new ATOM 0 HZ2 LYS A 54 -4.019 -0.884 -11.481 1.00 4.12 H new ATOM 0 HZ3 LYS A 54 -5.261 -1.973 -11.089 1.00 4.12 H new ATOM 871 N GLY A 55 -2.857 -1.657 -4.298 1.00 14.34 N ATOM 872 CA GLY A 55 -3.917 -1.569 -3.295 1.00 2.40 C ATOM 873 C GLY A 55 -4.834 -0.358 -3.457 1.00 25.32 C ATOM 874 O GLY A 55 -4.548 0.560 -4.229 1.00 43.40 O ATOM 0 H GLY A 55 -2.408 -0.770 -4.524 1.00 14.34 H new ATOM 0 HA2 GLY A 55 -4.520 -2.476 -3.340 1.00 2.40 H new ATOM 0 HA3 GLY A 55 -3.463 -1.537 -2.305 1.00 2.40 H new ATOM 878 N GLU A 56 -5.943 -0.363 -2.718 1.00 33.31 N ATOM 879 CA GLU A 56 -6.921 0.736 -2.744 1.00 24.34 C ATOM 880 C GLU A 56 -7.136 1.325 -1.341 1.00 42.42 C ATOM 881 O GLU A 56 -7.215 0.595 -0.351 1.00 41.34 O ATOM 882 CB GLU A 56 -8.259 0.236 -3.305 1.00 22.40 C ATOM 883 CG GLU A 56 -9.361 1.294 -3.307 1.00 43.33 C ATOM 884 CD GLU A 56 -10.694 0.766 -3.810 1.00 44.35 C ATOM 885 OE1 GLU A 56 -10.870 0.657 -5.040 1.00 74.23 O ATOM 886 OE2 GLU A 56 -11.578 0.467 -2.979 1.00 23.53 O ATOM 0 H GLU A 56 -6.193 -1.123 -2.085 1.00 33.31 H new ATOM 0 HA GLU A 56 -6.525 1.522 -3.388 1.00 24.34 H new ATOM 0 HB2 GLU A 56 -8.105 -0.117 -4.325 1.00 22.40 H new ATOM 0 HB3 GLU A 56 -8.591 -0.620 -2.718 1.00 22.40 H new ATOM 0 HG2 GLU A 56 -9.488 1.679 -2.295 1.00 43.33 H new ATOM 0 HG3 GLU A 56 -9.050 2.132 -3.931 1.00 43.33 H new ATOM 893 N THR A 57 -7.230 2.652 -1.262 1.00 71.21 N ATOM 894 CA THR A 57 -7.447 3.351 0.018 1.00 1.43 C ATOM 895 C THR A 57 -8.451 4.497 -0.135 1.00 14.32 C ATOM 896 O THR A 57 -8.976 4.742 -1.225 1.00 53.25 O ATOM 897 CB THR A 57 -6.138 3.961 0.578 1.00 52.14 C ATOM 898 OG1 THR A 57 -5.678 5.006 -0.292 1.00 4.23 O ATOM 899 CG2 THR A 57 -5.047 2.906 0.736 1.00 72.01 C ATOM 0 H THR A 57 -7.160 3.272 -2.069 1.00 71.21 H new ATOM 0 HA THR A 57 -7.828 2.595 0.704 1.00 1.43 H new ATOM 0 HB THR A 57 -6.355 4.369 1.565 1.00 52.14 H new ATOM 0 HG1 THR A 57 -5.837 4.749 -1.224 1.00 4.23 H new ATOM 0 HG21 THR A 57 -4.144 3.372 1.131 1.00 72.01 H new ATOM 0 HG22 THR A 57 -5.386 2.132 1.424 1.00 72.01 H new ATOM 0 HG23 THR A 57 -4.830 2.459 -0.234 1.00 72.01 H new ATOM 907 N HIS A 58 -8.713 5.205 0.964 1.00 61.22 N ATOM 908 CA HIS A 58 -9.518 6.433 0.922 1.00 62.13 C ATOM 909 C HIS A 58 -8.693 7.624 0.396 1.00 31.42 C ATOM 910 O HIS A 58 -9.236 8.691 0.112 1.00 43.33 O ATOM 911 CB HIS A 58 -10.086 6.757 2.309 1.00 60.45 C ATOM 912 CG HIS A 58 -11.124 5.780 2.783 1.00 32.14 C ATOM 913 ND1 HIS A 58 -12.472 5.940 2.537 1.00 43.13 N ATOM 914 CD2 HIS A 58 -11.011 4.631 3.491 1.00 52.12 C ATOM 915 CE1 HIS A 58 -13.140 4.936 3.069 1.00 40.01 C ATOM 916 NE2 HIS A 58 -12.280 4.128 3.652 1.00 32.52 N ATOM 0 H HIS A 58 -8.381 4.952 1.895 1.00 61.22 H new ATOM 0 HA HIS A 58 -10.346 6.261 0.234 1.00 62.13 H new ATOM 0 HB2 HIS A 58 -9.268 6.782 3.029 1.00 60.45 H new ATOM 0 HB3 HIS A 58 -10.523 7.755 2.288 1.00 60.45 H new ATOM 0 HD2 HIS A 58 -10.096 4.192 3.860 1.00 52.12 H new ATOM 0 HE1 HIS A 58 -14.211 4.800 3.033 1.00 40.01 H new ATOM 0 HE2 HIS A 58 -12.517 3.267 4.144 1.00 32.52 H new ATOM 925 N GLN A 59 -7.374 7.436 0.289 1.00 60.45 N ATOM 926 CA GLN A 59 -6.487 8.433 -0.326 1.00 60.32 C ATOM 927 C GLN A 59 -6.422 8.234 -1.845 1.00 14.42 C ATOM 928 O GLN A 59 -6.082 9.154 -2.595 1.00 51.23 O ATOM 929 CB GLN A 59 -5.066 8.346 0.255 1.00 4.23 C ATOM 930 CG GLN A 59 -4.958 8.669 1.742 1.00 5.12 C ATOM 931 CD GLN A 59 -5.506 7.573 2.641 1.00 42.34 C ATOM 932 OE1 GLN A 59 -6.678 7.572 3.010 1.00 4.32 O ATOM 933 NE2 GLN A 59 -4.662 6.629 2.997 1.00 74.55 N ATOM 0 H GLN A 59 -6.894 6.600 0.621 1.00 60.45 H new ATOM 0 HA GLN A 59 -6.900 9.417 -0.105 1.00 60.32 H new ATOM 0 HB2 GLN A 59 -4.682 7.340 0.088 1.00 4.23 H new ATOM 0 HB3 GLN A 59 -4.421 9.029 -0.298 1.00 4.23 H new ATOM 0 HG2 GLN A 59 -3.912 8.845 1.993 1.00 5.12 H new ATOM 0 HG3 GLN A 59 -5.494 9.596 1.944 1.00 5.12 H new ATOM 0 HE21 GLN A 59 -3.695 6.660 2.673 1.00 74.55 H new ATOM 0 HE22 GLN A 59 -4.974 5.866 3.597 1.00 74.55 H new ATOM 942 N GLY A 60 -6.736 7.018 -2.286 1.00 31.43 N ATOM 943 CA GLY A 60 -6.699 6.690 -3.706 1.00 13.34 C ATOM 944 C GLY A 60 -6.195 5.275 -3.977 1.00 40.24 C ATOM 945 O GLY A 60 -5.987 4.491 -3.047 1.00 31.14 O ATOM 0 H GLY A 60 -7.018 6.247 -1.681 1.00 31.43 H new ATOM 0 HA2 GLY A 60 -7.699 6.800 -4.125 1.00 13.34 H new ATOM 0 HA3 GLY A 60 -6.057 7.404 -4.222 1.00 13.34 H new ATOM 949 N ILE A 61 -6.004 4.945 -5.251 1.00 71.34 N ATOM 950 CA ILE A 61 -5.495 3.627 -5.649 1.00 71.41 C ATOM 951 C ILE A 61 -4.065 3.746 -6.203 1.00 64.11 C ATOM 952 O ILE A 61 -3.759 4.681 -6.945 1.00 70.13 O ATOM 953 CB ILE A 61 -6.406 2.976 -6.723 1.00 63.32 C ATOM 954 CG1 ILE A 61 -7.858 2.911 -6.221 1.00 32.23 C ATOM 955 CG2 ILE A 61 -5.897 1.581 -7.093 1.00 53.42 C ATOM 956 CD1 ILE A 61 -8.831 2.315 -7.220 1.00 75.43 C ATOM 0 H ILE A 61 -6.194 5.573 -6.032 1.00 71.34 H new ATOM 0 HA ILE A 61 -5.490 2.995 -4.761 1.00 71.41 H new ATOM 0 HB ILE A 61 -6.378 3.593 -7.621 1.00 63.32 H new ATOM 0 HG12 ILE A 61 -7.888 2.322 -5.304 1.00 32.23 H new ATOM 0 HG13 ILE A 61 -8.188 3.918 -5.964 1.00 32.23 H new ATOM 0 HG21 ILE A 61 -6.551 1.143 -7.847 1.00 53.42 H new ATOM 0 HG22 ILE A 61 -4.885 1.657 -7.490 1.00 53.42 H new ATOM 0 HG23 ILE A 61 -5.893 0.948 -6.206 1.00 53.42 H new ATOM 0 HD11 ILE A 61 -9.833 2.305 -6.790 1.00 75.43 H new ATOM 0 HD12 ILE A 61 -8.832 2.916 -8.129 1.00 75.43 H new ATOM 0 HD13 ILE A 61 -8.528 1.296 -7.459 1.00 75.43 H new ATOM 968 N GLY A 62 -3.195 2.803 -5.842 1.00 53.34 N ATOM 969 CA GLY A 62 -1.814 2.849 -6.319 1.00 23.31 C ATOM 970 C GLY A 62 -0.964 1.669 -5.854 1.00 61.02 C ATOM 971 O GLY A 62 -1.467 0.728 -5.236 1.00 63.45 O ATOM 0 H GLY A 62 -3.415 2.014 -5.234 1.00 53.34 H new ATOM 0 HA2 GLY A 62 -1.816 2.877 -7.409 1.00 23.31 H new ATOM 0 HA3 GLY A 62 -1.352 3.775 -5.978 1.00 23.31 H new ATOM 975 N LEU A 63 0.328 1.723 -6.164 1.00 14.54 N ATOM 976 CA LEU A 63 1.279 0.672 -5.778 1.00 53.15 C ATOM 977 C LEU A 63 1.997 1.034 -4.467 1.00 0.33 C ATOM 978 O LEU A 63 2.024 2.194 -4.068 1.00 54.35 O ATOM 979 CB LEU A 63 2.320 0.476 -6.893 1.00 73.14 C ATOM 980 CG LEU A 63 1.754 0.200 -8.299 1.00 14.12 C ATOM 981 CD1 LEU A 63 2.876 0.134 -9.332 1.00 22.24 C ATOM 982 CD2 LEU A 63 0.936 -1.086 -8.313 1.00 71.25 C ATOM 0 H LEU A 63 0.749 2.491 -6.687 1.00 14.54 H new ATOM 0 HA LEU A 63 0.722 -0.252 -5.626 1.00 53.15 H new ATOM 0 HB2 LEU A 63 2.944 1.368 -6.942 1.00 73.14 H new ATOM 0 HB3 LEU A 63 2.971 -0.353 -6.615 1.00 73.14 H new ATOM 0 HG LEU A 63 1.094 1.026 -8.564 1.00 14.12 H new ATOM 0 HD11 LEU A 63 2.453 -0.062 -10.317 1.00 22.24 H new ATOM 0 HD12 LEU A 63 3.411 1.083 -9.349 1.00 22.24 H new ATOM 0 HD13 LEU A 63 3.567 -0.667 -9.068 1.00 22.24 H new ATOM 0 HD21 LEU A 63 0.547 -1.259 -9.316 1.00 71.25 H new ATOM 0 HD22 LEU A 63 1.569 -1.923 -8.020 1.00 71.25 H new ATOM 0 HD23 LEU A 63 0.106 -0.997 -7.613 1.00 71.25 H new ATOM 994 N PHE A 64 2.569 0.041 -3.793 1.00 43.42 N ATOM 995 CA PHE A 64 3.393 0.298 -2.601 1.00 15.30 C ATOM 996 C PHE A 64 4.568 -0.696 -2.498 1.00 63.13 C ATOM 997 O PHE A 64 4.605 -1.554 -1.614 1.00 44.43 O ATOM 998 CB PHE A 64 2.534 0.295 -1.320 1.00 22.21 C ATOM 999 CG PHE A 64 1.555 -0.851 -1.218 1.00 4.01 C ATOM 1000 CD1 PHE A 64 0.335 -0.800 -1.881 1.00 42.10 C ATOM 1001 CD2 PHE A 64 1.843 -1.971 -0.452 1.00 2.41 C ATOM 1002 CE1 PHE A 64 -0.569 -1.839 -1.785 1.00 1.22 C ATOM 1003 CE2 PHE A 64 0.941 -3.014 -0.354 1.00 12.14 C ATOM 1004 CZ PHE A 64 -0.267 -2.948 -1.020 1.00 4.31 C ATOM 0 H PHE A 64 2.483 -0.944 -4.044 1.00 43.42 H new ATOM 0 HA PHE A 64 3.824 1.294 -2.707 1.00 15.30 H new ATOM 0 HB2 PHE A 64 3.197 0.267 -0.455 1.00 22.21 H new ATOM 0 HB3 PHE A 64 1.981 1.233 -1.268 1.00 22.21 H new ATOM 0 HD1 PHE A 64 0.090 0.065 -2.480 1.00 42.10 H new ATOM 0 HD2 PHE A 64 2.784 -2.029 0.075 1.00 2.41 H new ATOM 0 HE1 PHE A 64 -1.512 -1.784 -2.308 1.00 1.22 H new ATOM 0 HE2 PHE A 64 1.181 -3.881 0.244 1.00 12.14 H new ATOM 0 HZ PHE A 64 -0.973 -3.761 -0.943 1.00 4.31 H new ATOM 1014 N PRO A 65 5.560 -0.582 -3.414 1.00 73.13 N ATOM 1015 CA PRO A 65 6.708 -1.506 -3.492 1.00 62.21 C ATOM 1016 C PRO A 65 7.779 -1.256 -2.413 1.00 25.41 C ATOM 1017 O PRO A 65 8.696 -2.060 -2.242 1.00 2.43 O ATOM 1018 CB PRO A 65 7.292 -1.242 -4.901 1.00 44.33 C ATOM 1019 CG PRO A 65 6.349 -0.286 -5.565 1.00 72.21 C ATOM 1020 CD PRO A 65 5.641 0.445 -4.460 1.00 13.41 C ATOM 0 HA PRO A 65 6.392 -2.535 -3.323 1.00 62.21 H new ATOM 0 HB2 PRO A 65 8.294 -0.819 -4.835 1.00 44.33 H new ATOM 0 HB3 PRO A 65 7.374 -2.168 -5.470 1.00 44.33 H new ATOM 0 HG2 PRO A 65 6.889 0.409 -6.207 1.00 72.21 H new ATOM 0 HG3 PRO A 65 5.638 -0.818 -6.197 1.00 72.21 H new ATOM 0 HD2 PRO A 65 6.198 1.321 -4.129 1.00 13.41 H new ATOM 0 HD3 PRO A 65 4.655 0.792 -4.768 1.00 13.41 H new ATOM 1028 N SER A 66 7.668 -0.140 -1.693 1.00 71.21 N ATOM 1029 CA SER A 66 8.631 0.195 -0.628 1.00 62.53 C ATOM 1030 C SER A 66 8.577 -0.808 0.538 1.00 63.22 C ATOM 1031 O SER A 66 9.498 -0.870 1.353 1.00 54.01 O ATOM 1032 CB SER A 66 8.394 1.619 -0.102 1.00 50.23 C ATOM 1033 OG SER A 66 8.560 2.587 -1.131 1.00 40.01 O ATOM 0 H SER A 66 6.927 0.549 -1.822 1.00 71.21 H new ATOM 0 HA SER A 66 9.624 0.139 -1.073 1.00 62.53 H new ATOM 0 HB2 SER A 66 7.388 1.693 0.311 1.00 50.23 H new ATOM 0 HB3 SER A 66 9.088 1.828 0.712 1.00 50.23 H new ATOM 0 HG SER A 66 7.722 2.682 -1.629 1.00 40.01 H new ATOM 1039 N ASN A 67 7.484 -1.577 0.615 1.00 4.41 N ATOM 1040 CA ASN A 67 7.322 -2.631 1.631 1.00 35.10 C ATOM 1041 C ASN A 67 7.205 -2.058 3.060 1.00 12.13 C ATOM 1042 O ASN A 67 8.180 -2.015 3.812 1.00 53.31 O ATOM 1043 CB ASN A 67 8.466 -3.653 1.553 1.00 51.23 C ATOM 1044 CG ASN A 67 8.250 -4.839 2.482 1.00 3.23 C ATOM 1045 OD1 ASN A 67 7.121 -5.240 2.746 1.00 23.45 O ATOM 1046 ND2 ASN A 67 9.327 -5.408 2.987 1.00 63.31 N ATOM 0 H ASN A 67 6.690 -1.489 -0.020 1.00 4.41 H new ATOM 0 HA ASN A 67 6.383 -3.139 1.408 1.00 35.10 H new ATOM 0 HB2 ASN A 67 8.560 -4.011 0.528 1.00 51.23 H new ATOM 0 HB3 ASN A 67 9.406 -3.162 1.807 1.00 51.23 H new ATOM 0 HD21 ASN A 67 9.235 -6.205 3.617 1.00 63.31 H new ATOM 0 HD22 ASN A 67 10.252 -5.051 2.748 1.00 63.31 H new ATOM 1053 N PHE A 68 6.016 -1.572 3.404 1.00 54.42 N ATOM 1054 CA PHE A 68 5.740 -1.057 4.755 1.00 62.23 C ATOM 1055 C PHE A 68 4.387 -1.568 5.291 1.00 13.33 C ATOM 1056 O PHE A 68 3.787 -0.967 6.189 1.00 51.32 O ATOM 1057 CB PHE A 68 5.790 0.482 4.753 1.00 25.02 C ATOM 1058 CG PHE A 68 5.103 1.128 3.572 1.00 43.23 C ATOM 1059 CD1 PHE A 68 3.728 1.318 3.560 1.00 51.35 C ATOM 1060 CD2 PHE A 68 5.836 1.543 2.467 1.00 54.02 C ATOM 1061 CE1 PHE A 68 3.108 1.911 2.477 1.00 30.53 C ATOM 1062 CE2 PHE A 68 5.214 2.138 1.383 1.00 22.45 C ATOM 1063 CZ PHE A 68 3.849 2.320 1.389 1.00 62.21 C ATOM 0 H PHE A 68 5.221 -1.521 2.768 1.00 54.42 H new ATOM 0 HA PHE A 68 6.512 -1.431 5.427 1.00 62.23 H new ATOM 0 HB2 PHE A 68 5.330 0.849 5.671 1.00 25.02 H new ATOM 0 HB3 PHE A 68 6.833 0.799 4.769 1.00 25.02 H new ATOM 0 HD1 PHE A 68 3.137 0.999 4.406 1.00 51.35 H new ATOM 0 HD2 PHE A 68 6.906 1.399 2.454 1.00 54.02 H new ATOM 0 HE1 PHE A 68 2.038 2.055 2.483 1.00 30.53 H new ATOM 0 HE2 PHE A 68 5.799 2.459 0.534 1.00 22.45 H new ATOM 0 HZ PHE A 68 3.360 2.782 0.544 1.00 62.21 H new ATOM 1073 N VAL A 69 3.935 -2.703 4.756 1.00 11.11 N ATOM 1074 CA VAL A 69 2.663 -3.321 5.160 1.00 60.52 C ATOM 1075 C VAL A 69 2.855 -4.807 5.512 1.00 33.41 C ATOM 1076 O VAL A 69 3.943 -5.357 5.348 1.00 21.12 O ATOM 1077 CB VAL A 69 1.601 -3.209 4.037 1.00 45.54 C ATOM 1078 CG1 VAL A 69 1.311 -1.747 3.691 1.00 41.51 C ATOM 1079 CG2 VAL A 69 2.044 -3.980 2.795 1.00 64.30 C ATOM 0 H VAL A 69 4.435 -3.221 4.033 1.00 11.11 H new ATOM 0 HA VAL A 69 2.315 -2.781 6.040 1.00 60.52 H new ATOM 0 HB VAL A 69 0.677 -3.654 4.407 1.00 45.54 H new ATOM 0 HG11 VAL A 69 0.562 -1.702 2.900 1.00 41.51 H new ATOM 0 HG12 VAL A 69 0.936 -1.231 4.575 1.00 41.51 H new ATOM 0 HG13 VAL A 69 2.228 -1.265 3.351 1.00 41.51 H new ATOM 0 HG21 VAL A 69 1.284 -3.888 2.019 1.00 64.30 H new ATOM 0 HG22 VAL A 69 2.986 -3.571 2.430 1.00 64.30 H new ATOM 0 HG23 VAL A 69 2.178 -5.032 3.048 1.00 64.30 H new ATOM 1089 N THR A 70 1.791 -5.450 5.990 1.00 33.12 N ATOM 1090 CA THR A 70 1.828 -6.889 6.300 1.00 22.54 C ATOM 1091 C THR A 70 0.493 -7.570 5.978 1.00 23.55 C ATOM 1092 O THR A 70 -0.543 -6.910 5.862 1.00 24.52 O ATOM 1093 CB THR A 70 2.170 -7.155 7.790 1.00 64.40 C ATOM 1094 OG1 THR A 70 2.277 -8.571 8.028 1.00 4.23 O ATOM 1095 CG2 THR A 70 1.110 -6.560 8.716 1.00 33.52 C ATOM 0 H THR A 70 0.892 -5.004 6.173 1.00 33.12 H new ATOM 0 HA THR A 70 2.614 -7.310 5.672 1.00 22.54 H new ATOM 0 HB THR A 70 3.125 -6.675 8.005 1.00 64.40 H new ATOM 0 HG1 THR A 70 2.495 -8.729 8.970 1.00 4.23 H new ATOM 0 HG21 THR A 70 1.378 -6.763 9.753 1.00 33.52 H new ATOM 0 HG22 THR A 70 1.054 -5.483 8.560 1.00 33.52 H new ATOM 0 HG23 THR A 70 0.142 -7.009 8.497 1.00 33.52 H new ATOM 1103 N ALA A 71 0.523 -8.896 5.849 1.00 73.35 N ATOM 1104 CA ALA A 71 -0.682 -9.684 5.559 1.00 74.24 C ATOM 1105 C ALA A 71 -0.894 -10.785 6.611 1.00 42.05 C ATOM 1106 O ALA A 71 -0.013 -11.614 6.847 1.00 70.11 O ATOM 1107 CB ALA A 71 -0.586 -10.290 4.164 1.00 54.22 C ATOM 0 H ALA A 71 1.373 -9.453 5.941 1.00 73.35 H new ATOM 0 HA ALA A 71 -1.543 -9.017 5.598 1.00 74.24 H new ATOM 0 HB1 ALA A 71 -1.484 -10.873 3.958 1.00 54.22 H new ATOM 0 HB2 ALA A 71 -0.493 -9.493 3.427 1.00 54.22 H new ATOM 0 HB3 ALA A 71 0.288 -10.939 4.109 1.00 54.22 H new ATOM 1113 N ASP A 72 -2.061 -10.779 7.248 1.00 2.40 N ATOM 1114 CA ASP A 72 -2.402 -11.783 8.264 1.00 74.21 C ATOM 1115 C ASP A 72 -3.089 -13.017 7.637 1.00 4.31 C ATOM 1116 O ASP A 72 -4.333 -13.011 7.480 1.00 38.51 O ATOM 1117 CB ASP A 72 -3.303 -11.148 9.334 1.00 3.42 C ATOM 1118 CG ASP A 72 -2.602 -10.034 10.092 1.00 3.04 C ATOM 1119 OD1 ASP A 72 -2.566 -8.889 9.590 1.00 62.44 O ATOM 1120 OD2 ASP A 72 -2.085 -10.298 11.199 1.00 71.14 O ATOM 1121 OXT ASP A 72 -2.378 -13.991 7.297 1.00 38.51 O ATOM 0 H ASP A 72 -2.793 -10.089 7.081 1.00 2.40 H new ATOM 0 HA ASP A 72 -1.478 -12.128 8.728 1.00 74.21 H new ATOM 0 HB2 ASP A 72 -4.202 -10.753 8.861 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -3.625 -11.916 10.037 1.00 3.42 H new TER 1126 ASP A 72