USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 612 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 35 LYS NZ :NH3+ -164:sc= 1.01 (180deg=0) USER MOD Set 1.2: A 37 SER OG : rot 137:sc= 0.93 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0813 X(o=-0.081,f=-0.0028) USER MOD Single : A 13 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.037) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -123:sc= 0.00328 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.901 K(o=-0.9,f=-2.3!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.8!) USER MOD Single : A 38 SER OG : rot 130:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00287 USER MOD Single : A 49 TYR OH : rot 110:sc= -0.727 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 58 TYR OH : rot -80:sc= 0.357 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -37:sc= 0.0347 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -3.72 K(o=-3.7,f=-10!) USER MOD Single : A 78 SER OG : rot -92:sc= 0.0445 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.19 F(o=-0.84,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.341 -2.810 3.467 1.00 62.11 N ATOM 2 CA MET A 1 0.875 -1.916 2.446 1.00 10.33 C ATOM 3 C MET A 1 2.097 -2.530 1.770 1.00 12.23 C ATOM 4 O MET A 1 3.229 -2.123 2.026 1.00 1.40 O ATOM 5 CB MET A 1 1.244 -0.565 3.063 1.00 31.35 C ATOM 6 CG MET A 1 1.670 0.475 2.040 1.00 61.40 C ATOM 7 SD MET A 1 1.314 2.160 2.572 1.00 31.05 S ATOM 8 CE MET A 1 -0.120 2.537 1.568 1.00 71.43 C ATOM 0 H1 MET A 1 -0.490 -2.371 3.913 1.00 62.11 H new ATOM 0 H2 MET A 1 0.063 -3.711 3.028 1.00 62.11 H new ATOM 0 H3 MET A 1 1.069 -2.987 4.189 1.00 62.11 H new ATOM 0 HA MET A 1 0.103 -1.764 1.692 1.00 10.33 H new ATOM 0 HB2 MET A 1 0.389 -0.184 3.621 1.00 31.35 H new ATOM 0 HB3 MET A 1 2.053 -0.711 3.779 1.00 31.35 H new ATOM 0 HG2 MET A 1 2.739 0.376 1.851 1.00 61.40 H new ATOM 0 HG3 MET A 1 1.160 0.281 1.096 1.00 61.40 H new ATOM 0 HE1 MET A 1 -0.459 3.550 1.784 1.00 71.43 H new ATOM 0 HE2 MET A 1 0.144 2.460 0.513 1.00 71.43 H new ATOM 0 HE3 MET A 1 -0.919 1.831 1.795 1.00 71.43 H new ATOM 18 N ASN A 2 1.859 -3.512 0.907 1.00 12.10 N ATOM 19 CA ASN A 2 2.941 -4.183 0.195 1.00 13.41 C ATOM 20 C ASN A 2 2.697 -4.159 -1.311 1.00 25.32 C ATOM 21 O ASN A 2 1.580 -3.915 -1.766 1.00 24.03 O ATOM 22 CB ASN A 2 3.078 -5.628 0.679 1.00 43.35 C ATOM 23 CG ASN A 2 4.511 -5.989 1.019 1.00 62.40 C ATOM 24 OD1 ASN A 2 5.367 -6.077 0.138 1.00 30.23 O ATOM 25 ND2 ASN A 2 4.779 -6.202 2.302 1.00 13.43 N ATOM 0 H ASN A 2 0.927 -3.861 0.684 1.00 12.10 H new ATOM 0 HA ASN A 2 3.868 -3.648 0.403 1.00 13.41 H new ATOM 0 HB2 ASN A 2 2.451 -5.775 1.558 1.00 43.35 H new ATOM 0 HB3 ASN A 2 2.709 -6.304 -0.093 1.00 43.35 H new ATOM 0 HD21 ASN A 2 5.725 -6.450 2.591 1.00 13.43 H new ATOM 0 HD22 ASN A 2 4.039 -6.118 2.998 1.00 13.43 H new ATOM 32 N ALA A 3 3.751 -4.416 -2.079 1.00 3.21 N ATOM 33 CA ALA A 3 3.652 -4.427 -3.533 1.00 41.01 C ATOM 34 C ALA A 3 4.875 -5.087 -4.162 1.00 35.23 C ATOM 35 O ALA A 3 5.662 -4.434 -4.846 1.00 14.32 O ATOM 36 CB ALA A 3 3.485 -3.010 -4.062 1.00 33.14 C ATOM 0 H ALA A 3 4.683 -4.619 -1.718 1.00 3.21 H new ATOM 0 HA ALA A 3 2.774 -5.012 -3.808 1.00 41.01 H new ATOM 0 HB1 ALA A 3 3.412 -3.034 -5.149 1.00 33.14 H new ATOM 0 HB2 ALA A 3 2.577 -2.571 -3.647 1.00 33.14 H new ATOM 0 HB3 ALA A 3 4.345 -2.408 -3.769 1.00 33.14 H new ATOM 42 N ALA A 4 5.028 -6.386 -3.924 1.00 54.24 N ATOM 43 CA ALA A 4 6.154 -7.134 -4.469 1.00 33.34 C ATOM 44 C ALA A 4 5.769 -8.585 -4.740 1.00 2.23 C ATOM 45 O ALA A 4 5.835 -9.430 -3.848 1.00 62.32 O ATOM 46 CB ALA A 4 7.340 -7.069 -3.518 1.00 34.55 C ATOM 0 H ALA A 4 4.387 -6.941 -3.358 1.00 54.24 H new ATOM 0 HA ALA A 4 6.437 -6.678 -5.417 1.00 33.34 H new ATOM 0 HB1 ALA A 4 8.174 -7.632 -3.937 1.00 34.55 H new ATOM 0 HB2 ALA A 4 7.638 -6.030 -3.378 1.00 34.55 H new ATOM 0 HB3 ALA A 4 7.059 -7.499 -2.556 1.00 34.55 H new ATOM 52 N GLU A 5 5.367 -8.865 -5.976 1.00 2.35 N ATOM 53 CA GLU A 5 4.971 -10.214 -6.362 1.00 53.30 C ATOM 54 C GLU A 5 6.184 -11.037 -6.784 1.00 71.44 C ATOM 55 O GLU A 5 6.900 -10.674 -7.717 1.00 65.43 O ATOM 56 CB GLU A 5 3.953 -10.163 -7.503 1.00 53.32 C ATOM 57 CG GLU A 5 4.461 -9.442 -8.741 1.00 21.33 C ATOM 58 CD GLU A 5 3.541 -8.321 -9.182 1.00 51.13 C ATOM 59 OE1 GLU A 5 2.366 -8.605 -9.495 1.00 31.15 O ATOM 60 OE2 GLU A 5 3.997 -7.159 -9.215 1.00 53.41 O ATOM 0 H GLU A 5 5.307 -8.176 -6.726 1.00 2.35 H new ATOM 0 HA GLU A 5 4.512 -10.693 -5.497 1.00 53.30 H new ATOM 0 HB2 GLU A 5 3.673 -11.181 -7.775 1.00 53.32 H new ATOM 0 HB3 GLU A 5 3.049 -9.668 -7.150 1.00 53.32 H new ATOM 0 HG2 GLU A 5 5.452 -9.035 -8.539 1.00 21.33 H new ATOM 0 HG3 GLU A 5 4.570 -10.159 -9.555 1.00 21.33 H new ATOM 67 N VAL A 6 6.408 -12.149 -6.090 1.00 42.51 N ATOM 68 CA VAL A 6 7.534 -13.025 -6.392 1.00 54.25 C ATOM 69 C VAL A 6 7.054 -14.396 -6.855 1.00 33.02 C ATOM 70 O VAL A 6 6.111 -14.956 -6.295 1.00 31.03 O ATOM 71 CB VAL A 6 8.453 -13.200 -5.169 1.00 73.30 C ATOM 72 CG1 VAL A 6 8.775 -11.851 -4.545 1.00 60.11 C ATOM 73 CG2 VAL A 6 7.810 -14.129 -4.149 1.00 42.44 C ATOM 0 H VAL A 6 5.825 -12.464 -5.315 1.00 42.51 H new ATOM 0 HA VAL A 6 8.098 -12.551 -7.195 1.00 54.25 H new ATOM 0 HB VAL A 6 9.388 -13.652 -5.500 1.00 73.30 H new ATOM 0 HG11 VAL A 6 9.425 -11.995 -3.682 1.00 60.11 H new ATOM 0 HG12 VAL A 6 9.279 -11.222 -5.279 1.00 60.11 H new ATOM 0 HG13 VAL A 6 7.851 -11.368 -4.226 1.00 60.11 H new ATOM 0 HG21 VAL A 6 8.473 -14.242 -3.291 1.00 42.44 H new ATOM 0 HG22 VAL A 6 6.860 -13.707 -3.821 1.00 42.44 H new ATOM 0 HG23 VAL A 6 7.636 -15.104 -4.604 1.00 42.44 H new ATOM 83 N ILE A 7 7.709 -14.931 -7.879 1.00 72.53 N ATOM 84 CA ILE A 7 7.350 -16.238 -8.416 1.00 32.32 C ATOM 85 C ILE A 7 8.305 -17.318 -7.919 1.00 11.05 C ATOM 86 O ILE A 7 9.472 -17.357 -8.308 1.00 2.22 O ATOM 87 CB ILE A 7 7.354 -16.235 -9.956 1.00 12.01 C ATOM 88 CG1 ILE A 7 7.143 -17.653 -10.491 1.00 41.23 C ATOM 89 CG2 ILE A 7 8.658 -15.653 -10.481 1.00 13.00 C ATOM 90 CD1 ILE A 7 5.877 -18.308 -9.985 1.00 41.12 C ATOM 0 H ILE A 7 8.491 -14.480 -8.354 1.00 72.53 H new ATOM 0 HA ILE A 7 6.342 -16.457 -8.064 1.00 32.32 H new ATOM 0 HB ILE A 7 6.533 -15.609 -10.306 1.00 12.01 H new ATOM 0 HG12 ILE A 7 7.116 -17.621 -11.580 1.00 41.23 H new ATOM 0 HG13 ILE A 7 7.998 -18.269 -10.211 1.00 41.23 H new ATOM 0 HG21 ILE A 7 8.646 -15.658 -11.571 1.00 13.00 H new ATOM 0 HG22 ILE A 7 8.769 -14.629 -10.124 1.00 13.00 H new ATOM 0 HG23 ILE A 7 9.494 -16.255 -10.125 1.00 13.00 H new ATOM 0 HD11 ILE A 7 5.793 -19.310 -10.405 1.00 41.12 H new ATOM 0 HD12 ILE A 7 5.910 -18.372 -8.897 1.00 41.12 H new ATOM 0 HD13 ILE A 7 5.014 -17.714 -10.287 1.00 41.12 H new ATOM 102 N VAL A 8 7.801 -18.195 -7.057 1.00 34.34 N ATOM 103 CA VAL A 8 8.608 -19.278 -6.508 1.00 33.43 C ATOM 104 C VAL A 8 7.896 -20.619 -6.647 1.00 32.31 C ATOM 105 O VAL A 8 6.681 -20.711 -6.467 1.00 42.31 O ATOM 106 CB VAL A 8 8.937 -19.036 -5.023 1.00 32.14 C ATOM 107 CG1 VAL A 8 9.735 -20.200 -4.456 1.00 33.35 C ATOM 108 CG2 VAL A 8 9.693 -17.727 -4.852 1.00 20.33 C ATOM 0 H VAL A 8 6.837 -18.177 -6.724 1.00 34.34 H new ATOM 0 HA VAL A 8 9.536 -19.301 -7.079 1.00 33.43 H new ATOM 0 HB VAL A 8 8.001 -18.964 -4.468 1.00 32.14 H new ATOM 0 HG11 VAL A 8 9.958 -20.011 -3.406 1.00 33.35 H new ATOM 0 HG12 VAL A 8 9.153 -21.117 -4.544 1.00 33.35 H new ATOM 0 HG13 VAL A 8 10.667 -20.307 -5.011 1.00 33.35 H new ATOM 0 HG21 VAL A 8 9.917 -17.572 -3.797 1.00 20.33 H new ATOM 0 HG22 VAL A 8 10.623 -17.767 -5.419 1.00 20.33 H new ATOM 0 HG23 VAL A 8 9.081 -16.903 -5.218 1.00 20.33 H new ATOM 118 N TYR A 9 8.660 -21.658 -6.968 1.00 15.43 N ATOM 119 CA TYR A 9 8.102 -22.995 -7.133 1.00 53.41 C ATOM 120 C TYR A 9 8.193 -23.788 -5.833 1.00 13.40 C ATOM 121 O TYR A 9 9.200 -23.731 -5.129 1.00 21.23 O ATOM 122 CB TYR A 9 8.833 -23.740 -8.251 1.00 32.43 C ATOM 123 CG TYR A 9 8.403 -23.323 -9.639 1.00 61.20 C ATOM 124 CD1 TYR A 9 8.507 -22.000 -10.051 1.00 73.32 C ATOM 125 CD2 TYR A 9 7.893 -24.251 -10.538 1.00 73.31 C ATOM 126 CE1 TYR A 9 8.115 -21.614 -11.318 1.00 73.25 C ATOM 127 CE2 TYR A 9 7.500 -23.875 -11.808 1.00 13.43 C ATOM 128 CZ TYR A 9 7.612 -22.555 -12.193 1.00 64.11 C ATOM 129 OH TYR A 9 7.221 -22.176 -13.456 1.00 54.55 O ATOM 0 H TYR A 9 9.667 -21.600 -7.119 1.00 15.43 H new ATOM 0 HA TYR A 9 7.050 -22.892 -7.401 1.00 53.41 H new ATOM 0 HB2 TYR A 9 9.905 -23.573 -8.147 1.00 32.43 H new ATOM 0 HB3 TYR A 9 8.664 -24.810 -8.134 1.00 32.43 H new ATOM 0 HD1 TYR A 9 8.901 -21.261 -9.369 1.00 73.32 H new ATOM 0 HD2 TYR A 9 7.802 -25.285 -10.239 1.00 73.31 H new ATOM 0 HE1 TYR A 9 8.202 -20.581 -11.622 1.00 73.25 H new ATOM 0 HE2 TYR A 9 7.108 -24.610 -12.495 1.00 13.43 H new ATOM 0 HH TYR A 9 6.892 -22.959 -13.945 1.00 54.55 H new ATOM 139 N GLU A 10 7.132 -24.527 -5.523 1.00 0.53 N ATOM 140 CA GLU A 10 7.092 -25.331 -4.307 1.00 73.33 C ATOM 141 C GLU A 10 7.557 -26.758 -4.584 1.00 4.03 C ATOM 142 O GLU A 10 6.966 -27.722 -4.095 1.00 44.41 O ATOM 143 CB GLU A 10 5.676 -25.349 -3.727 1.00 51.43 C ATOM 144 CG GLU A 10 5.604 -25.900 -2.313 1.00 42.51 C ATOM 145 CD GLU A 10 6.689 -25.340 -1.413 1.00 53.22 C ATOM 146 OE1 GLU A 10 6.614 -24.141 -1.070 1.00 60.13 O ATOM 147 OE2 GLU A 10 7.612 -26.099 -1.052 1.00 73.33 O ATOM 0 H GLU A 10 6.290 -24.585 -6.096 1.00 0.53 H new ATOM 0 HA GLU A 10 7.769 -24.880 -3.581 1.00 73.33 H new ATOM 0 HB2 GLU A 10 5.277 -24.335 -3.733 1.00 51.43 H new ATOM 0 HB3 GLU A 10 5.035 -25.948 -4.374 1.00 51.43 H new ATOM 0 HG2 GLU A 10 4.628 -25.669 -1.886 1.00 42.51 H new ATOM 0 HG3 GLU A 10 5.689 -26.986 -2.345 1.00 42.51 H new ATOM 154 N HIS A 11 8.621 -26.885 -5.371 1.00 73.03 N ATOM 155 CA HIS A 11 9.167 -28.194 -5.713 1.00 54.45 C ATOM 156 C HIS A 11 10.306 -28.061 -6.720 1.00 11.24 C ATOM 157 O HIS A 11 10.783 -26.959 -6.990 1.00 45.13 O ATOM 158 CB HIS A 11 8.070 -29.094 -6.283 1.00 40.02 C ATOM 159 CG HIS A 11 7.836 -30.335 -5.478 1.00 61.35 C ATOM 160 ND1 HIS A 11 6.581 -30.760 -5.098 1.00 33.20 N ATOM 161 CD2 HIS A 11 8.706 -31.246 -4.983 1.00 61.42 C ATOM 162 CE1 HIS A 11 6.689 -31.878 -4.402 1.00 13.20 C ATOM 163 NE2 HIS A 11 7.968 -32.195 -4.318 1.00 42.53 N ATOM 0 H HIS A 11 9.122 -26.098 -5.784 1.00 73.03 H new ATOM 0 HA HIS A 11 9.561 -28.646 -4.802 1.00 54.45 H new ATOM 0 HB2 HIS A 11 7.140 -28.528 -6.341 1.00 40.02 H new ATOM 0 HB3 HIS A 11 8.336 -29.376 -7.302 1.00 40.02 H new ATOM 0 HD2 HIS A 11 9.780 -31.230 -5.091 1.00 61.42 H new ATOM 0 HE1 HIS A 11 5.870 -32.438 -3.974 1.00 13.20 H new ATOM 0 HE2 HIS A 11 8.346 -33.011 -3.838 1.00 42.53 H new ATOM 171 N VAL A 12 10.738 -29.191 -7.270 1.00 74.11 N ATOM 172 CA VAL A 12 11.821 -29.201 -8.246 1.00 75.04 C ATOM 173 C VAL A 12 11.425 -28.452 -9.514 1.00 12.23 C ATOM 174 O VAL A 12 10.242 -28.243 -9.780 1.00 30.13 O ATOM 175 CB VAL A 12 12.227 -30.639 -8.619 1.00 60.11 C ATOM 176 CG1 VAL A 12 13.560 -30.645 -9.351 1.00 42.44 C ATOM 177 CG2 VAL A 12 12.289 -31.514 -7.376 1.00 74.01 C ATOM 0 H VAL A 12 10.354 -30.112 -7.056 1.00 74.11 H new ATOM 0 HA VAL A 12 12.670 -28.700 -7.781 1.00 75.04 H new ATOM 0 HB VAL A 12 11.470 -31.049 -9.288 1.00 60.11 H new ATOM 0 HG11 VAL A 12 13.830 -31.670 -9.606 1.00 42.44 H new ATOM 0 HG12 VAL A 12 13.477 -30.054 -10.263 1.00 42.44 H new ATOM 0 HG13 VAL A 12 14.329 -30.216 -8.709 1.00 42.44 H new ATOM 0 HG21 VAL A 12 12.577 -32.527 -7.658 1.00 74.01 H new ATOM 0 HG22 VAL A 12 13.024 -31.108 -6.681 1.00 74.01 H new ATOM 0 HG23 VAL A 12 11.310 -31.536 -6.897 1.00 74.01 H new ATOM 187 N ASN A 13 12.423 -28.050 -10.293 1.00 45.22 N ATOM 188 CA ASN A 13 12.180 -27.323 -11.534 1.00 32.11 C ATOM 189 C ASN A 13 11.944 -28.288 -12.692 1.00 53.10 C ATOM 190 O ASN A 13 12.608 -28.209 -13.725 1.00 44.24 O ATOM 191 CB ASN A 13 13.362 -26.406 -11.853 1.00 0.44 C ATOM 192 CG ASN A 13 13.019 -25.363 -12.899 1.00 61.23 C ATOM 193 OD1 ASN A 13 12.333 -24.382 -12.613 1.00 5.34 O ATOM 194 ND2 ASN A 13 13.496 -25.572 -14.121 1.00 30.41 N ATOM 0 H ASN A 13 13.408 -28.215 -10.087 1.00 45.22 H new ATOM 0 HA ASN A 13 11.284 -26.716 -11.401 1.00 32.11 H new ATOM 0 HB2 ASN A 13 13.688 -25.908 -10.940 1.00 0.44 H new ATOM 0 HB3 ASN A 13 14.200 -27.007 -12.205 1.00 0.44 H new ATOM 0 HD21 ASN A 13 13.298 -24.905 -14.867 1.00 30.41 H new ATOM 0 HD22 ASN A 13 14.061 -26.399 -14.313 1.00 30.41 H new ATOM 201 N PHE A 14 10.992 -29.198 -12.512 1.00 64.11 N ATOM 202 CA PHE A 14 10.668 -30.179 -13.541 1.00 42.14 C ATOM 203 C PHE A 14 9.498 -31.057 -13.107 1.00 2.21 C ATOM 204 O PHE A 14 9.388 -32.211 -13.517 1.00 61.35 O ATOM 205 CB PHE A 14 11.888 -31.050 -13.848 1.00 20.21 C ATOM 206 CG PHE A 14 12.025 -32.233 -12.933 1.00 33.33 C ATOM 207 CD1 PHE A 14 11.909 -32.081 -11.560 1.00 61.44 C ATOM 208 CD2 PHE A 14 12.269 -33.497 -13.445 1.00 25.32 C ATOM 209 CE1 PHE A 14 12.034 -33.168 -10.715 1.00 60.14 C ATOM 210 CE2 PHE A 14 12.395 -34.588 -12.605 1.00 11.32 C ATOM 211 CZ PHE A 14 12.278 -34.423 -11.238 1.00 43.34 C ATOM 0 H PHE A 14 10.432 -29.276 -11.663 1.00 64.11 H new ATOM 0 HA PHE A 14 10.379 -29.640 -14.443 1.00 42.14 H new ATOM 0 HB2 PHE A 14 11.823 -31.402 -14.877 1.00 20.21 H new ATOM 0 HB3 PHE A 14 12.788 -30.439 -13.776 1.00 20.21 H new ATOM 0 HD1 PHE A 14 11.719 -31.102 -11.146 1.00 61.44 H new ATOM 0 HD2 PHE A 14 12.362 -33.632 -14.513 1.00 25.32 H new ATOM 0 HE1 PHE A 14 11.941 -33.036 -9.647 1.00 60.14 H new ATOM 0 HE2 PHE A 14 12.585 -35.568 -13.017 1.00 11.32 H new ATOM 0 HZ PHE A 14 12.377 -35.274 -10.580 1.00 43.34 H new ATOM 221 N GLY A 15 8.626 -30.500 -12.272 1.00 0.20 N ATOM 222 CA GLY A 15 7.476 -31.245 -11.794 1.00 62.34 C ATOM 223 C GLY A 15 6.978 -30.746 -10.452 1.00 63.45 C ATOM 224 O GLY A 15 6.783 -31.530 -9.524 1.00 71.05 O ATOM 0 H GLY A 15 8.696 -29.546 -11.918 1.00 0.20 H new ATOM 0 HA2 GLY A 15 6.671 -31.174 -12.526 1.00 62.34 H new ATOM 0 HA3 GLY A 15 7.739 -32.299 -11.711 1.00 62.34 H new ATOM 228 N GLY A 16 6.774 -29.437 -10.348 1.00 53.43 N ATOM 229 CA GLY A 16 6.299 -28.856 -9.106 1.00 22.43 C ATOM 230 C GLY A 16 5.279 -27.758 -9.331 1.00 5.21 C ATOM 231 O GLY A 16 5.047 -27.338 -10.465 1.00 22.40 O ATOM 0 H GLY A 16 6.929 -28.768 -11.102 1.00 53.43 H new ATOM 0 HA2 GLY A 16 5.856 -29.638 -8.489 1.00 22.43 H new ATOM 0 HA3 GLY A 16 7.146 -28.453 -8.550 1.00 22.43 H new ATOM 235 N LYS A 17 4.667 -27.290 -8.248 1.00 72.55 N ATOM 236 CA LYS A 17 3.665 -26.234 -8.332 1.00 23.04 C ATOM 237 C LYS A 17 4.318 -24.858 -8.247 1.00 13.11 C ATOM 238 O LYS A 17 5.356 -24.691 -7.607 1.00 32.03 O ATOM 239 CB LYS A 17 2.634 -26.391 -7.212 1.00 22.23 C ATOM 240 CG LYS A 17 1.584 -25.294 -7.193 1.00 41.15 C ATOM 241 CD LYS A 17 1.887 -24.250 -6.132 1.00 11.12 C ATOM 242 CE LYS A 17 1.745 -24.823 -4.730 1.00 42.01 C ATOM 243 NZ LYS A 17 0.506 -24.343 -4.057 1.00 62.54 N ATOM 0 H LYS A 17 4.848 -27.626 -7.302 1.00 72.55 H new ATOM 0 HA LYS A 17 3.162 -26.320 -9.295 1.00 23.04 H new ATOM 0 HB2 LYS A 17 2.138 -27.355 -7.319 1.00 22.23 H new ATOM 0 HB3 LYS A 17 3.151 -26.404 -6.253 1.00 22.23 H new ATOM 0 HG2 LYS A 17 1.538 -24.816 -8.172 1.00 41.15 H new ATOM 0 HG3 LYS A 17 0.603 -25.731 -7.005 1.00 41.15 H new ATOM 0 HD2 LYS A 17 2.900 -23.872 -6.271 1.00 11.12 H new ATOM 0 HD3 LYS A 17 1.211 -23.403 -6.250 1.00 11.12 H new ATOM 0 HE2 LYS A 17 1.731 -25.912 -4.782 1.00 42.01 H new ATOM 0 HE3 LYS A 17 2.614 -24.543 -4.134 1.00 42.01 H new ATOM 0 HZ1 LYS A 17 0.446 -24.756 -3.104 1.00 62.54 H new ATOM 0 HZ2 LYS A 17 0.530 -23.306 -3.984 1.00 62.54 H new ATOM 0 HZ3 LYS A 17 -0.325 -24.632 -4.612 1.00 62.54 H new ATOM 257 N SER A 18 3.702 -23.875 -8.896 1.00 14.25 N ATOM 258 CA SER A 18 4.224 -22.513 -8.895 1.00 62.51 C ATOM 259 C SER A 18 3.126 -21.510 -8.558 1.00 15.01 C ATOM 260 O SER A 18 1.981 -21.658 -8.986 1.00 52.13 O ATOM 261 CB SER A 18 4.836 -22.179 -10.257 1.00 13.11 C ATOM 262 OG SER A 18 4.170 -22.872 -11.299 1.00 3.42 O ATOM 0 H SER A 18 2.841 -23.996 -9.429 1.00 14.25 H new ATOM 0 HA SER A 18 4.998 -22.447 -8.130 1.00 62.51 H new ATOM 0 HB2 SER A 18 4.775 -21.105 -10.433 1.00 13.11 H new ATOM 0 HB3 SER A 18 5.894 -22.443 -10.259 1.00 13.11 H new ATOM 0 HG SER A 18 4.819 -23.404 -11.805 1.00 3.42 H new ATOM 268 N PHE A 19 3.483 -20.488 -7.787 1.00 35.33 N ATOM 269 CA PHE A 19 2.528 -19.460 -7.390 1.00 51.31 C ATOM 270 C PHE A 19 3.145 -18.069 -7.511 1.00 31.40 C ATOM 271 O PHE A 19 4.360 -17.906 -7.398 1.00 51.24 O ATOM 272 CB PHE A 19 2.057 -19.698 -5.954 1.00 13.20 C ATOM 273 CG PHE A 19 3.132 -20.232 -5.051 1.00 74.43 C ATOM 274 CD1 PHE A 19 4.252 -19.471 -4.760 1.00 63.44 C ATOM 275 CD2 PHE A 19 3.021 -21.496 -4.494 1.00 25.20 C ATOM 276 CE1 PHE A 19 5.243 -19.960 -3.930 1.00 22.12 C ATOM 277 CE2 PHE A 19 4.009 -21.990 -3.662 1.00 52.04 C ATOM 278 CZ PHE A 19 5.122 -21.222 -3.381 1.00 15.40 C ATOM 0 H PHE A 19 4.426 -20.350 -7.425 1.00 35.33 H new ATOM 0 HA PHE A 19 1.670 -19.518 -8.060 1.00 51.31 H new ATOM 0 HB2 PHE A 19 1.681 -18.761 -5.543 1.00 13.20 H new ATOM 0 HB3 PHE A 19 1.222 -20.399 -5.965 1.00 13.20 H new ATOM 0 HD1 PHE A 19 4.352 -18.484 -5.187 1.00 63.44 H new ATOM 0 HD2 PHE A 19 2.154 -22.102 -4.712 1.00 25.20 H new ATOM 0 HE1 PHE A 19 6.111 -19.356 -3.711 1.00 22.12 H new ATOM 0 HE2 PHE A 19 3.910 -22.976 -3.232 1.00 52.04 H new ATOM 0 HZ PHE A 19 5.896 -21.607 -2.734 1.00 15.40 H new ATOM 288 N ASP A 20 2.299 -17.071 -7.741 1.00 71.55 N ATOM 289 CA ASP A 20 2.760 -15.695 -7.877 1.00 54.55 C ATOM 290 C ASP A 20 1.790 -14.728 -7.204 1.00 61.21 C ATOM 291 O ASP A 20 0.995 -14.066 -7.870 1.00 43.04 O ATOM 292 CB ASP A 20 2.918 -15.331 -9.355 1.00 1.24 C ATOM 293 CG ASP A 20 1.829 -15.935 -10.220 1.00 4.14 C ATOM 294 OD1 ASP A 20 0.643 -15.826 -9.844 1.00 3.15 O ATOM 295 OD2 ASP A 20 2.163 -16.516 -11.273 1.00 43.12 O ATOM 0 H ASP A 20 1.290 -17.189 -7.837 1.00 71.55 H new ATOM 0 HA ASP A 20 3.729 -15.612 -7.384 1.00 54.55 H new ATOM 0 HB2 ASP A 20 2.904 -14.246 -9.463 1.00 1.24 H new ATOM 0 HB3 ASP A 20 3.891 -15.673 -9.709 1.00 1.24 H new ATOM 300 N ALA A 21 1.861 -14.654 -5.879 1.00 44.01 N ATOM 301 CA ALA A 21 0.991 -13.768 -5.116 1.00 20.33 C ATOM 302 C ALA A 21 1.511 -12.335 -5.137 1.00 40.05 C ATOM 303 O ALA A 21 2.711 -12.100 -5.284 1.00 22.52 O ATOM 304 CB ALA A 21 0.861 -14.263 -3.683 1.00 11.24 C ATOM 0 H ALA A 21 2.512 -15.197 -5.312 1.00 44.01 H new ATOM 0 HA ALA A 21 0.006 -13.776 -5.583 1.00 20.33 H new ATOM 0 HB1 ALA A 21 0.209 -13.592 -3.124 1.00 11.24 H new ATOM 0 HB2 ALA A 21 0.436 -15.267 -3.682 1.00 11.24 H new ATOM 0 HB3 ALA A 21 1.845 -14.285 -3.215 1.00 11.24 H new ATOM 310 N THR A 22 0.600 -11.377 -4.992 1.00 22.53 N ATOM 311 CA THR A 22 0.967 -9.967 -4.997 1.00 13.14 C ATOM 312 C THR A 22 1.183 -9.450 -3.579 1.00 33.01 C ATOM 313 O THR A 22 0.711 -8.370 -3.223 1.00 34.40 O ATOM 314 CB THR A 22 -0.111 -9.109 -5.685 1.00 55.20 C ATOM 315 OG1 THR A 22 -1.413 -9.515 -5.248 1.00 54.33 O ATOM 316 CG2 THR A 22 -0.017 -9.233 -7.198 1.00 51.23 C ATOM 0 H THR A 22 -0.397 -11.553 -4.870 1.00 22.53 H new ATOM 0 HA THR A 22 1.899 -9.885 -5.557 1.00 13.14 H new ATOM 0 HB THR A 22 0.055 -8.067 -5.411 1.00 55.20 H new ATOM 0 HG1 THR A 22 -2.093 -8.963 -5.689 1.00 54.33 H new ATOM 0 HG21 THR A 22 -0.788 -8.618 -7.662 1.00 51.23 H new ATOM 0 HG22 THR A 22 0.965 -8.896 -7.530 1.00 51.23 H new ATOM 0 HG23 THR A 22 -0.160 -10.274 -7.487 1.00 51.23 H new ATOM 324 N SER A 23 1.900 -10.227 -2.773 1.00 73.25 N ATOM 325 CA SER A 23 2.176 -9.849 -1.393 1.00 13.34 C ATOM 326 C SER A 23 3.219 -10.774 -0.774 1.00 4.20 C ATOM 327 O SER A 23 3.819 -11.600 -1.463 1.00 1.44 O ATOM 328 CB SER A 23 0.890 -9.886 -0.565 1.00 11.15 C ATOM 329 OG SER A 23 0.808 -8.767 0.301 1.00 50.21 O ATOM 0 H SER A 23 2.300 -11.123 -3.053 1.00 73.25 H new ATOM 0 HA SER A 23 2.571 -8.833 -1.393 1.00 13.34 H new ATOM 0 HB2 SER A 23 0.026 -9.899 -1.230 1.00 11.15 H new ATOM 0 HB3 SER A 23 0.857 -10.805 0.020 1.00 11.15 H new ATOM 0 HG SER A 23 -0.023 -8.813 0.818 1.00 50.21 H new ATOM 335 N ASP A 24 3.431 -10.629 0.529 1.00 13.25 N ATOM 336 CA ASP A 24 4.401 -11.451 1.243 1.00 72.31 C ATOM 337 C ASP A 24 3.996 -12.922 1.210 1.00 55.42 C ATOM 338 O ASP A 24 3.036 -13.325 1.867 1.00 62.03 O ATOM 339 CB ASP A 24 4.535 -10.979 2.691 1.00 12.24 C ATOM 340 CG ASP A 24 5.981 -10.880 3.137 1.00 75.31 C ATOM 341 OD1 ASP A 24 6.588 -9.806 2.947 1.00 44.21 O ATOM 342 OD2 ASP A 24 6.504 -11.877 3.676 1.00 31.24 O ATOM 0 H ASP A 24 2.944 -9.949 1.113 1.00 13.25 H new ATOM 0 HA ASP A 24 5.365 -11.346 0.745 1.00 72.31 H new ATOM 0 HB2 ASP A 24 4.057 -10.005 2.798 1.00 12.24 H new ATOM 0 HB3 ASP A 24 4.002 -11.669 3.346 1.00 12.24 H new ATOM 347 N GLN A 25 4.732 -13.716 0.440 1.00 23.11 N ATOM 348 CA GLN A 25 4.448 -15.141 0.320 1.00 33.14 C ATOM 349 C GLN A 25 5.002 -15.909 1.516 1.00 63.24 C ATOM 350 O GLN A 25 5.856 -15.421 2.256 1.00 31.04 O ATOM 351 CB GLN A 25 5.041 -15.694 -0.976 1.00 63.24 C ATOM 352 CG GLN A 25 3.995 -16.067 -2.014 1.00 51.21 C ATOM 353 CD GLN A 25 4.204 -15.355 -3.336 1.00 3.41 C ATOM 354 OE1 GLN A 25 4.233 -15.982 -4.395 1.00 23.42 O ATOM 355 NE2 GLN A 25 4.351 -14.036 -3.281 1.00 65.03 N ATOM 0 H GLN A 25 5.529 -13.397 -0.110 1.00 23.11 H new ATOM 0 HA GLN A 25 3.366 -15.269 0.299 1.00 33.14 H new ATOM 0 HB2 GLN A 25 5.715 -14.952 -1.403 1.00 63.24 H new ATOM 0 HB3 GLN A 25 5.641 -16.574 -0.745 1.00 63.24 H new ATOM 0 HG2 GLN A 25 4.020 -17.144 -2.178 1.00 51.21 H new ATOM 0 HG3 GLN A 25 3.004 -15.826 -1.629 1.00 51.21 H new ATOM 0 HE21 GLN A 25 4.320 -13.556 -2.381 1.00 65.03 H new ATOM 0 HE22 GLN A 25 4.495 -13.503 -4.139 1.00 65.03 H new ATOM 364 N PRO A 26 4.507 -17.140 1.710 1.00 71.51 N ATOM 365 CA PRO A 26 4.939 -18.002 2.814 1.00 31.42 C ATOM 366 C PRO A 26 6.457 -18.068 2.939 1.00 43.15 C ATOM 367 O PRO A 26 7.127 -18.725 2.143 1.00 43.43 O ATOM 368 CB PRO A 26 4.374 -19.374 2.436 1.00 53.32 C ATOM 369 CG PRO A 26 3.195 -19.073 1.576 1.00 32.40 C ATOM 370 CD PRO A 26 3.487 -17.786 0.866 1.00 22.23 C ATOM 0 HA PRO A 26 4.590 -17.633 3.779 1.00 31.42 H new ATOM 0 HB2 PRO A 26 5.112 -19.973 1.901 1.00 53.32 H new ATOM 0 HB3 PRO A 26 4.084 -19.941 3.321 1.00 53.32 H new ATOM 0 HG2 PRO A 26 3.024 -19.878 0.861 1.00 32.40 H new ATOM 0 HG3 PRO A 26 2.291 -18.984 2.178 1.00 32.40 H new ATOM 0 HD2 PRO A 26 3.857 -17.962 -0.144 1.00 22.23 H new ATOM 0 HD3 PRO A 26 2.594 -17.168 0.775 1.00 22.23 H new ATOM 378 N GLY A 27 6.995 -17.383 3.943 1.00 15.54 N ATOM 379 CA GLY A 27 8.430 -17.377 4.153 1.00 4.24 C ATOM 380 C GLY A 27 9.009 -18.775 4.243 1.00 32.02 C ATOM 381 O GLY A 27 8.272 -19.760 4.236 1.00 72.52 O ATOM 0 H GLY A 27 6.462 -16.832 4.615 1.00 15.54 H new ATOM 0 HA2 GLY A 27 8.911 -16.840 3.336 1.00 4.24 H new ATOM 0 HA3 GLY A 27 8.658 -16.833 5.070 1.00 4.24 H new ATOM 385 N ALA A 28 10.332 -18.862 4.327 1.00 44.04 N ATOM 386 CA ALA A 28 11.009 -20.150 4.418 1.00 0.33 C ATOM 387 C ALA A 28 10.561 -20.918 5.657 1.00 24.11 C ATOM 388 O ALA A 28 9.638 -20.504 6.356 1.00 11.14 O ATOM 389 CB ALA A 28 12.518 -19.953 4.433 1.00 33.33 C ATOM 0 H ALA A 28 10.957 -18.056 4.334 1.00 44.04 H new ATOM 0 HA ALA A 28 10.740 -20.738 3.541 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.011 -20.923 4.501 1.00 33.33 H new ATOM 0 HB2 ALA A 28 12.829 -19.452 3.516 1.00 33.33 H new ATOM 0 HB3 ALA A 28 12.797 -19.343 5.292 1.00 33.33 H new ATOM 395 N GLY A 29 11.222 -22.041 5.923 1.00 44.14 N ATOM 396 CA GLY A 29 10.877 -22.850 7.077 1.00 1.30 C ATOM 397 C GLY A 29 9.909 -23.965 6.735 1.00 11.31 C ATOM 398 O GLY A 29 8.750 -23.711 6.406 1.00 0.40 O ATOM 0 H GLY A 29 11.990 -22.405 5.359 1.00 44.14 H new ATOM 0 HA2 GLY A 29 11.785 -23.279 7.501 1.00 1.30 H new ATOM 0 HA3 GLY A 29 10.437 -22.213 7.845 1.00 1.30 H new ATOM 402 N ASP A 30 10.384 -25.203 6.811 1.00 3.21 N ATOM 403 CA ASP A 30 9.553 -26.361 6.506 1.00 34.34 C ATOM 404 C ASP A 30 9.827 -27.500 7.484 1.00 45.22 C ATOM 405 O ASP A 30 10.517 -27.317 8.486 1.00 32.33 O ATOM 406 CB ASP A 30 9.802 -26.832 5.073 1.00 60.03 C ATOM 407 CG ASP A 30 8.535 -27.313 4.393 1.00 63.14 C ATOM 408 OD1 ASP A 30 7.750 -26.460 3.928 1.00 1.11 O ATOM 409 OD2 ASP A 30 8.330 -28.543 4.324 1.00 15.31 O ATOM 0 H ASP A 30 11.341 -25.430 7.081 1.00 3.21 H new ATOM 0 HA ASP A 30 8.509 -26.064 6.606 1.00 34.34 H new ATOM 0 HB2 ASP A 30 10.233 -26.015 4.495 1.00 60.03 H new ATOM 0 HB3 ASP A 30 10.535 -27.639 5.081 1.00 60.03 H new ATOM 414 N ASN A 31 9.282 -28.674 7.185 1.00 64.55 N ATOM 415 CA ASN A 31 9.468 -29.843 8.038 1.00 54.41 C ATOM 416 C ASN A 31 10.935 -30.258 8.081 1.00 40.15 C ATOM 417 O ASN A 31 11.785 -29.642 7.436 1.00 1.01 O ATOM 418 CB ASN A 31 8.611 -31.007 7.537 1.00 52.01 C ATOM 419 CG ASN A 31 7.403 -31.258 8.419 1.00 3.25 C ATOM 420 OD1 ASN A 31 6.382 -30.581 8.300 1.00 10.22 O ATOM 421 ND2 ASN A 31 7.516 -32.235 9.312 1.00 54.22 N ATOM 0 H ASN A 31 8.708 -28.842 6.359 1.00 64.55 H new ATOM 0 HA ASN A 31 9.155 -29.578 9.048 1.00 54.41 H new ATOM 0 HB2 ASN A 31 8.278 -30.798 6.520 1.00 52.01 H new ATOM 0 HB3 ASN A 31 9.220 -31.910 7.494 1.00 52.01 H new ATOM 0 HD21 ASN A 31 6.737 -32.450 9.934 1.00 54.22 H new ATOM 0 HD22 ASN A 31 8.382 -32.771 9.375 1.00 54.22 H new ATOM 428 N LEU A 32 11.225 -31.306 8.843 1.00 24.20 N ATOM 429 CA LEU A 32 12.590 -31.805 8.970 1.00 63.51 C ATOM 430 C LEU A 32 12.955 -32.699 7.789 1.00 61.31 C ATOM 431 O LEU A 32 12.282 -33.693 7.519 1.00 52.23 O ATOM 432 CB LEU A 32 12.751 -32.580 10.279 1.00 4.12 C ATOM 433 CG LEU A 32 13.288 -31.783 11.469 1.00 42.14 C ATOM 434 CD1 LEU A 32 12.337 -30.651 11.826 1.00 44.15 C ATOM 435 CD2 LEU A 32 13.508 -32.695 12.667 1.00 74.34 C ATOM 0 H LEU A 32 10.534 -31.827 9.382 1.00 24.20 H new ATOM 0 HA LEU A 32 13.264 -30.949 8.976 1.00 63.51 H new ATOM 0 HB2 LEU A 32 11.781 -32.996 10.553 1.00 4.12 H new ATOM 0 HB3 LEU A 32 13.420 -33.422 10.100 1.00 4.12 H new ATOM 0 HG LEU A 32 14.247 -31.349 11.187 1.00 42.14 H new ATOM 0 HD11 LEU A 32 12.735 -30.095 12.675 1.00 44.15 H new ATOM 0 HD12 LEU A 32 12.230 -29.982 10.972 1.00 44.15 H new ATOM 0 HD13 LEU A 32 11.363 -31.063 12.088 1.00 44.15 H new ATOM 0 HD21 LEU A 32 13.890 -32.111 13.504 1.00 74.34 H new ATOM 0 HD22 LEU A 32 12.563 -33.159 12.950 1.00 74.34 H new ATOM 0 HD23 LEU A 32 14.229 -33.470 12.407 1.00 74.34 H new ATOM 447 N ASN A 33 14.027 -32.340 7.090 1.00 11.41 N ATOM 448 CA ASN A 33 14.483 -33.110 5.939 1.00 74.22 C ATOM 449 C ASN A 33 13.343 -33.337 4.951 1.00 74.54 C ATOM 450 O ASN A 33 12.920 -34.471 4.725 1.00 35.53 O ATOM 451 CB ASN A 33 15.055 -34.455 6.393 1.00 54.32 C ATOM 452 CG ASN A 33 16.312 -34.297 7.225 1.00 2.53 C ATOM 453 OD1 ASN A 33 16.590 -33.219 7.751 1.00 2.25 O ATOM 454 ND2 ASN A 33 17.080 -35.373 7.348 1.00 73.31 N ATOM 0 H ASN A 33 14.596 -31.520 7.301 1.00 11.41 H new ATOM 0 HA ASN A 33 15.266 -32.540 5.439 1.00 74.22 H new ATOM 0 HB2 ASN A 33 14.303 -34.989 6.974 1.00 54.32 H new ATOM 0 HB3 ASN A 33 15.276 -35.067 5.518 1.00 54.32 H new ATOM 0 HD21 ASN A 33 17.939 -35.326 7.896 1.00 73.31 H new ATOM 0 HD22 ASN A 33 16.811 -36.246 6.895 1.00 73.31 H new ATOM 461 N ASP A 34 12.851 -32.252 4.364 1.00 74.02 N ATOM 462 CA ASP A 34 11.761 -32.332 3.398 1.00 32.32 C ATOM 463 C ASP A 34 11.468 -30.962 2.794 1.00 21.40 C ATOM 464 O ASP A 34 10.317 -30.531 2.736 1.00 54.43 O ATOM 465 CB ASP A 34 10.501 -32.890 4.063 1.00 5.35 C ATOM 466 CG ASP A 34 9.577 -33.570 3.074 1.00 74.24 C ATOM 467 OD1 ASP A 34 9.495 -33.101 1.919 1.00 20.13 O ATOM 468 OD2 ASP A 34 8.934 -34.571 3.453 1.00 34.44 O ATOM 0 H ASP A 34 13.190 -31.306 4.540 1.00 74.02 H new ATOM 0 HA ASP A 34 12.068 -33.004 2.597 1.00 32.32 H new ATOM 0 HB2 ASP A 34 10.787 -33.602 4.837 1.00 5.35 H new ATOM 0 HB3 ASP A 34 9.966 -32.080 4.558 1.00 5.35 H new ATOM 473 N LYS A 35 12.518 -30.282 2.346 1.00 21.42 N ATOM 474 CA LYS A 35 12.375 -28.961 1.746 1.00 23.21 C ATOM 475 C LYS A 35 13.331 -28.792 0.569 1.00 75.20 C ATOM 476 O LYS A 35 14.528 -28.575 0.756 1.00 62.51 O ATOM 477 CB LYS A 35 12.638 -27.873 2.790 1.00 73.31 C ATOM 478 CG LYS A 35 12.754 -26.479 2.199 1.00 43.11 C ATOM 479 CD LYS A 35 11.521 -26.111 1.391 1.00 44.14 C ATOM 480 CE LYS A 35 11.834 -26.028 -0.096 1.00 34.03 C ATOM 481 NZ LYS A 35 11.846 -24.621 -0.582 1.00 53.32 N ATOM 0 H LYS A 35 13.478 -30.624 2.387 1.00 21.42 H new ATOM 0 HA LYS A 35 11.353 -28.865 1.379 1.00 23.21 H new ATOM 0 HB2 LYS A 35 11.831 -27.882 3.523 1.00 73.31 H new ATOM 0 HB3 LYS A 35 13.558 -28.109 3.325 1.00 73.31 H new ATOM 0 HG2 LYS A 35 12.895 -25.754 3.000 1.00 43.11 H new ATOM 0 HG3 LYS A 35 13.637 -26.425 1.562 1.00 43.11 H new ATOM 0 HD2 LYS A 35 10.740 -26.853 1.559 1.00 44.14 H new ATOM 0 HD3 LYS A 35 11.131 -25.153 1.736 1.00 44.14 H new ATOM 0 HE2 LYS A 35 12.803 -26.487 -0.289 1.00 34.03 H new ATOM 0 HE3 LYS A 35 11.093 -26.599 -0.656 1.00 34.03 H new ATOM 0 HZ1 LYS A 35 11.791 -24.612 -1.620 1.00 53.32 H new ATOM 0 HZ2 LYS A 35 11.030 -24.110 -0.187 1.00 53.32 H new ATOM 0 HZ3 LYS A 35 12.725 -24.156 -0.278 1.00 53.32 H new ATOM 495 N ILE A 36 12.793 -28.891 -0.642 1.00 61.41 N ATOM 496 CA ILE A 36 13.598 -28.747 -1.849 1.00 0.33 C ATOM 497 C ILE A 36 12.789 -28.117 -2.977 1.00 74.13 C ATOM 498 O ILE A 36 11.730 -28.621 -3.352 1.00 20.31 O ATOM 499 CB ILE A 36 14.150 -30.104 -2.323 1.00 40.13 C ATOM 500 CG1 ILE A 36 13.052 -31.169 -2.281 1.00 1.33 C ATOM 501 CG2 ILE A 36 15.335 -30.523 -1.466 1.00 41.31 C ATOM 502 CD1 ILE A 36 12.961 -31.890 -0.954 1.00 61.02 C ATOM 0 H ILE A 36 11.804 -29.070 -0.813 1.00 61.41 H new ATOM 0 HA ILE A 36 14.433 -28.094 -1.596 1.00 0.33 H new ATOM 0 HB ILE A 36 14.491 -30.001 -3.353 1.00 40.13 H new ATOM 0 HG12 ILE A 36 12.092 -30.699 -2.497 1.00 1.33 H new ATOM 0 HG13 ILE A 36 13.234 -31.899 -3.070 1.00 1.33 H new ATOM 0 HG21 ILE A 36 15.714 -31.484 -1.814 1.00 41.31 H new ATOM 0 HG22 ILE A 36 16.123 -29.773 -1.543 1.00 41.31 H new ATOM 0 HG23 ILE A 36 15.019 -30.612 -0.427 1.00 41.31 H new ATOM 0 HD11 ILE A 36 12.162 -32.630 -0.996 1.00 61.02 H new ATOM 0 HD12 ILE A 36 13.907 -32.389 -0.745 1.00 61.02 H new ATOM 0 HD13 ILE A 36 12.748 -31.171 -0.163 1.00 61.02 H new ATOM 514 N SER A 37 13.295 -27.013 -3.517 1.00 1.24 N ATOM 515 CA SER A 37 12.618 -26.312 -4.602 1.00 23.41 C ATOM 516 C SER A 37 13.540 -25.277 -5.238 1.00 43.42 C ATOM 517 O SER A 37 14.744 -25.259 -4.981 1.00 31.30 O ATOM 518 CB SER A 37 11.349 -25.633 -4.085 1.00 52.23 C ATOM 519 OG SER A 37 11.652 -24.405 -3.446 1.00 54.22 O ATOM 0 H SER A 37 14.172 -26.584 -3.221 1.00 1.24 H new ATOM 0 HA SER A 37 12.345 -27.045 -5.361 1.00 23.41 H new ATOM 0 HB2 SER A 37 10.664 -25.456 -4.914 1.00 52.23 H new ATOM 0 HB3 SER A 37 10.838 -26.294 -3.385 1.00 52.23 H new ATOM 0 HG SER A 37 11.006 -23.723 -3.725 1.00 54.22 H new ATOM 525 N SER A 38 12.966 -24.414 -6.071 1.00 33.33 N ATOM 526 CA SER A 38 13.735 -23.377 -6.748 1.00 1.02 C ATOM 527 C SER A 38 13.108 -22.004 -6.526 1.00 45.31 C ATOM 528 O SER A 38 11.922 -21.894 -6.215 1.00 40.14 O ATOM 529 CB SER A 38 13.824 -23.674 -8.246 1.00 14.00 C ATOM 530 OG SER A 38 13.265 -24.941 -8.549 1.00 4.24 O ATOM 0 H SER A 38 11.970 -24.413 -6.293 1.00 33.33 H new ATOM 0 HA SER A 38 14.740 -23.371 -6.326 1.00 1.02 H new ATOM 0 HB2 SER A 38 13.300 -22.899 -8.805 1.00 14.00 H new ATOM 0 HB3 SER A 38 14.866 -23.647 -8.564 1.00 14.00 H new ATOM 0 HG SER A 38 12.630 -24.850 -9.290 1.00 4.24 H new ATOM 536 N ILE A 39 13.914 -20.960 -6.688 1.00 42.31 N ATOM 537 CA ILE A 39 13.439 -19.594 -6.507 1.00 43.41 C ATOM 538 C ILE A 39 13.623 -18.774 -7.780 1.00 24.30 C ATOM 539 O ILE A 39 14.638 -18.892 -8.467 1.00 25.55 O ATOM 540 CB ILE A 39 14.172 -18.892 -5.348 1.00 54.00 C ATOM 541 CG1 ILE A 39 13.677 -19.430 -4.004 1.00 3.14 C ATOM 542 CG2 ILE A 39 13.970 -17.386 -5.429 1.00 23.14 C ATOM 543 CD1 ILE A 39 14.186 -20.818 -3.685 1.00 35.44 C ATOM 0 H ILE A 39 14.899 -21.034 -6.944 1.00 42.31 H new ATOM 0 HA ILE A 39 12.377 -19.659 -6.269 1.00 43.41 H new ATOM 0 HB ILE A 39 15.239 -19.101 -5.431 1.00 54.00 H new ATOM 0 HG12 ILE A 39 13.986 -18.747 -3.212 1.00 3.14 H new ATOM 0 HG13 ILE A 39 12.587 -19.443 -4.006 1.00 3.14 H new ATOM 0 HG21 ILE A 39 14.494 -16.904 -4.604 1.00 23.14 H new ATOM 0 HG22 ILE A 39 14.365 -17.016 -6.375 1.00 23.14 H new ATOM 0 HG23 ILE A 39 12.906 -17.158 -5.366 1.00 23.14 H new ATOM 0 HD11 ILE A 39 13.795 -21.135 -2.718 1.00 35.44 H new ATOM 0 HD12 ILE A 39 13.855 -21.513 -4.456 1.00 35.44 H new ATOM 0 HD13 ILE A 39 15.275 -20.807 -3.650 1.00 35.44 H new ATOM 555 N LYS A 40 12.635 -17.941 -8.089 1.00 23.41 N ATOM 556 CA LYS A 40 12.688 -17.099 -9.278 1.00 11.34 C ATOM 557 C LYS A 40 12.369 -15.648 -8.930 1.00 45.15 C ATOM 558 O LYS A 40 11.282 -15.340 -8.441 1.00 64.34 O ATOM 559 CB LYS A 40 11.705 -17.609 -10.334 1.00 31.03 C ATOM 560 CG LYS A 40 12.165 -17.366 -11.761 1.00 11.13 C ATOM 561 CD LYS A 40 10.988 -17.257 -12.715 1.00 55.31 C ATOM 562 CE LYS A 40 11.390 -17.607 -14.139 1.00 62.23 C ATOM 563 NZ LYS A 40 10.396 -17.117 -15.133 1.00 52.05 N ATOM 0 H LYS A 40 11.788 -17.831 -7.532 1.00 23.41 H new ATOM 0 HA LYS A 40 13.700 -17.145 -9.681 1.00 11.34 H new ATOM 0 HB2 LYS A 40 11.550 -18.678 -10.188 1.00 31.03 H new ATOM 0 HB3 LYS A 40 10.740 -17.124 -10.185 1.00 31.03 H new ATOM 0 HG2 LYS A 40 12.755 -16.450 -11.803 1.00 11.13 H new ATOM 0 HG3 LYS A 40 12.817 -18.180 -12.078 1.00 11.13 H new ATOM 0 HD2 LYS A 40 10.190 -17.923 -12.387 1.00 55.31 H new ATOM 0 HD3 LYS A 40 10.589 -16.243 -12.687 1.00 55.31 H new ATOM 0 HE2 LYS A 40 12.366 -17.174 -14.358 1.00 62.23 H new ATOM 0 HE3 LYS A 40 11.493 -18.688 -14.232 1.00 62.23 H new ATOM 0 HZ1 LYS A 40 10.707 -17.376 -16.091 1.00 52.05 H new ATOM 0 HZ2 LYS A 40 9.470 -17.550 -14.941 1.00 52.05 H new ATOM 0 HZ3 LYS A 40 10.316 -16.082 -15.063 1.00 52.05 H new ATOM 577 N VAL A 41 13.324 -14.759 -9.188 1.00 20.32 N ATOM 578 CA VAL A 41 13.144 -13.340 -8.905 1.00 30.30 C ATOM 579 C VAL A 41 13.125 -12.522 -10.191 1.00 0.31 C ATOM 580 O VAL A 41 13.903 -12.772 -11.111 1.00 65.24 O ATOM 581 CB VAL A 41 14.258 -12.806 -7.985 1.00 51.44 C ATOM 582 CG1 VAL A 41 15.628 -13.118 -8.568 1.00 53.03 C ATOM 583 CG2 VAL A 41 14.092 -11.310 -7.763 1.00 44.10 C ATOM 0 H VAL A 41 14.230 -14.997 -9.592 1.00 20.32 H new ATOM 0 HA VAL A 41 12.184 -13.237 -8.398 1.00 30.30 H new ATOM 0 HB VAL A 41 14.179 -13.305 -7.019 1.00 51.44 H new ATOM 0 HG11 VAL A 41 16.402 -12.733 -7.904 1.00 53.03 H new ATOM 0 HG12 VAL A 41 15.742 -14.197 -8.671 1.00 53.03 H new ATOM 0 HG13 VAL A 41 15.723 -12.648 -9.547 1.00 53.03 H new ATOM 0 HG21 VAL A 41 14.887 -10.949 -7.111 1.00 44.10 H new ATOM 0 HG22 VAL A 41 14.145 -10.792 -8.721 1.00 44.10 H new ATOM 0 HG23 VAL A 41 13.125 -11.116 -7.298 1.00 44.10 H new ATOM 593 N LYS A 42 12.231 -11.541 -10.248 1.00 54.22 N ATOM 594 CA LYS A 42 12.110 -10.682 -11.420 1.00 72.34 C ATOM 595 C LYS A 42 11.848 -9.236 -11.011 1.00 70.32 C ATOM 596 O LYS A 42 11.057 -8.536 -11.643 1.00 32.12 O ATOM 597 CB LYS A 42 10.982 -11.179 -12.328 1.00 11.22 C ATOM 598 CG LYS A 42 11.289 -11.043 -13.809 1.00 73.22 C ATOM 599 CD LYS A 42 12.045 -12.252 -14.335 1.00 3.51 C ATOM 600 CE LYS A 42 13.539 -11.978 -14.426 1.00 13.24 C ATOM 601 NZ LYS A 42 14.215 -12.903 -15.377 1.00 3.52 N ATOM 0 H LYS A 42 11.579 -11.321 -9.495 1.00 54.22 H new ATOM 0 HA LYS A 42 13.052 -10.721 -11.967 1.00 72.34 H new ATOM 0 HB2 LYS A 42 10.780 -12.226 -12.102 1.00 11.22 H new ATOM 0 HB3 LYS A 42 10.073 -10.622 -12.101 1.00 11.22 H new ATOM 0 HG2 LYS A 42 10.359 -10.924 -14.365 1.00 73.22 H new ATOM 0 HG3 LYS A 42 11.879 -10.142 -13.978 1.00 73.22 H new ATOM 0 HD2 LYS A 42 11.870 -13.106 -13.680 1.00 3.51 H new ATOM 0 HD3 LYS A 42 11.663 -12.522 -15.319 1.00 3.51 H new ATOM 0 HE2 LYS A 42 13.701 -10.948 -14.744 1.00 13.24 H new ATOM 0 HE3 LYS A 42 13.988 -12.081 -13.438 1.00 13.24 H new ATOM 0 HZ1 LYS A 42 15.231 -12.684 -15.411 1.00 3.52 H new ATOM 0 HZ2 LYS A 42 14.082 -13.885 -15.060 1.00 3.52 H new ATOM 0 HZ3 LYS A 42 13.804 -12.787 -16.325 1.00 3.52 H new ATOM 615 N SER A 43 12.518 -8.795 -9.952 1.00 25.24 N ATOM 616 CA SER A 43 12.356 -7.433 -9.457 1.00 62.11 C ATOM 617 C SER A 43 13.223 -7.196 -8.224 1.00 43.24 C ATOM 618 O SER A 43 13.010 -7.802 -7.175 1.00 55.42 O ATOM 619 CB SER A 43 10.888 -7.161 -9.122 1.00 64.02 C ATOM 620 OG SER A 43 10.429 -5.983 -9.762 1.00 62.02 O ATOM 0 H SER A 43 13.179 -9.361 -9.420 1.00 25.24 H new ATOM 0 HA SER A 43 12.676 -6.747 -10.242 1.00 62.11 H new ATOM 0 HB2 SER A 43 10.278 -8.009 -9.433 1.00 64.02 H new ATOM 0 HB3 SER A 43 10.770 -7.062 -8.043 1.00 64.02 H new ATOM 0 HG SER A 43 9.488 -5.832 -9.534 1.00 62.02 H new ATOM 626 N GLY A 44 14.204 -6.308 -8.360 1.00 62.43 N ATOM 627 CA GLY A 44 15.090 -6.006 -7.251 1.00 53.11 C ATOM 628 C GLY A 44 15.859 -7.222 -6.775 1.00 31.12 C ATOM 629 O GLY A 44 16.265 -8.063 -7.577 1.00 65.23 O ATOM 0 H GLY A 44 14.401 -5.793 -9.218 1.00 62.43 H new ATOM 0 HA2 GLY A 44 15.794 -5.230 -7.553 1.00 53.11 H new ATOM 0 HA3 GLY A 44 14.507 -5.602 -6.424 1.00 53.11 H new ATOM 633 N THR A 45 16.062 -7.317 -5.464 1.00 55.53 N ATOM 634 CA THR A 45 16.790 -8.437 -4.882 1.00 55.12 C ATOM 635 C THR A 45 16.299 -8.738 -3.471 1.00 14.22 C ATOM 636 O THR A 45 15.770 -7.861 -2.787 1.00 43.23 O ATOM 637 CB THR A 45 18.304 -8.161 -4.839 1.00 3.23 C ATOM 638 OG1 THR A 45 18.574 -7.040 -3.989 1.00 32.44 O ATOM 639 CG2 THR A 45 18.845 -7.887 -6.234 1.00 53.31 C ATOM 0 H THR A 45 15.732 -6.631 -4.785 1.00 55.53 H new ATOM 0 HA THR A 45 16.604 -9.301 -5.520 1.00 55.12 H new ATOM 0 HB THR A 45 18.800 -9.046 -4.442 1.00 3.23 H new ATOM 0 HG1 THR A 45 19.539 -6.872 -3.966 1.00 32.44 H new ATOM 0 HG21 THR A 45 19.916 -7.695 -6.177 1.00 53.31 H new ATOM 0 HG22 THR A 45 18.665 -8.753 -6.871 1.00 53.31 H new ATOM 0 HG23 THR A 45 18.342 -7.016 -6.655 1.00 53.31 H new ATOM 647 N TRP A 46 16.477 -9.981 -3.040 1.00 71.43 N ATOM 648 CA TRP A 46 16.052 -10.397 -1.708 1.00 60.24 C ATOM 649 C TRP A 46 17.217 -10.994 -0.927 1.00 3.43 C ATOM 650 O TRP A 46 18.324 -11.126 -1.449 1.00 60.25 O ATOM 651 CB TRP A 46 14.915 -11.415 -1.808 1.00 74.01 C ATOM 652 CG TRP A 46 13.939 -11.110 -2.904 1.00 14.32 C ATOM 653 CD1 TRP A 46 13.432 -9.885 -3.232 1.00 43.45 C ATOM 654 CD2 TRP A 46 13.350 -12.046 -3.813 1.00 64.21 C ATOM 655 NE1 TRP A 46 12.565 -10.003 -4.291 1.00 74.33 N ATOM 656 CE2 TRP A 46 12.498 -11.319 -4.666 1.00 53.05 C ATOM 657 CE3 TRP A 46 13.463 -13.428 -3.991 1.00 15.32 C ATOM 658 CZ2 TRP A 46 11.762 -11.929 -5.679 1.00 42.33 C ATOM 659 CZ3 TRP A 46 12.732 -14.031 -4.996 1.00 73.43 C ATOM 660 CH2 TRP A 46 11.891 -13.283 -5.831 1.00 1.43 C ATOM 0 H TRP A 46 16.913 -10.719 -3.593 1.00 71.43 H new ATOM 0 HA TRP A 46 15.695 -9.515 -1.176 1.00 60.24 H new ATOM 0 HB2 TRP A 46 15.338 -12.406 -1.973 1.00 74.01 H new ATOM 0 HB3 TRP A 46 14.383 -11.450 -0.857 1.00 74.01 H new ATOM 0 HD1 TRP A 46 13.677 -8.959 -2.732 1.00 43.45 H new ATOM 0 HE1 TRP A 46 12.054 -9.235 -4.727 1.00 74.33 H new ATOM 0 HE3 TRP A 46 14.110 -14.013 -3.354 1.00 15.32 H new ATOM 0 HZ2 TRP A 46 11.112 -11.354 -6.322 1.00 42.33 H new ATOM 0 HZ3 TRP A 46 12.810 -15.098 -5.141 1.00 73.43 H new ATOM 0 HH2 TRP A 46 11.334 -13.784 -6.609 1.00 1.43 H new ATOM 671 N ARG A 47 16.962 -11.352 0.327 1.00 15.22 N ATOM 672 CA ARG A 47 17.991 -11.933 1.181 1.00 74.43 C ATOM 673 C ARG A 47 17.520 -13.258 1.774 1.00 62.44 C ATOM 674 O ARG A 47 16.420 -13.351 2.317 1.00 35.43 O ATOM 675 CB ARG A 47 18.360 -10.963 2.304 1.00 44.43 C ATOM 676 CG ARG A 47 19.010 -9.680 1.811 1.00 51.04 C ATOM 677 CD ARG A 47 18.028 -8.519 1.819 1.00 34.13 C ATOM 678 NE ARG A 47 18.643 -7.278 1.357 1.00 71.03 N ATOM 679 CZ ARG A 47 18.992 -7.057 0.094 1.00 14.22 C ATOM 680 NH1 ARG A 47 18.786 -7.988 -0.827 1.00 23.22 N ATOM 681 NH2 ARG A 47 19.547 -5.901 -0.249 1.00 74.54 N ATOM 0 H ARG A 47 16.051 -11.250 0.774 1.00 15.22 H new ATOM 0 HA ARG A 47 18.873 -12.121 0.568 1.00 74.43 H new ATOM 0 HB2 ARG A 47 17.460 -10.712 2.866 1.00 44.43 H new ATOM 0 HB3 ARG A 47 19.039 -11.462 2.995 1.00 44.43 H new ATOM 0 HG2 ARG A 47 19.866 -9.439 2.442 1.00 51.04 H new ATOM 0 HG3 ARG A 47 19.391 -9.829 0.801 1.00 51.04 H new ATOM 0 HD2 ARG A 47 17.177 -8.760 1.183 1.00 34.13 H new ATOM 0 HD3 ARG A 47 17.642 -8.378 2.828 1.00 34.13 H new ATOM 0 HE ARG A 47 18.814 -6.541 2.041 1.00 71.03 H new ATOM 0 HH11 ARG A 47 18.359 -8.877 -0.567 1.00 23.22 H new ATOM 0 HH12 ARG A 47 19.055 -7.815 -1.796 1.00 23.22 H new ATOM 0 HH21 ARG A 47 19.706 -5.182 0.457 1.00 74.54 H new ATOM 0 HH22 ARG A 47 19.815 -5.732 -1.219 1.00 74.54 H new ATOM 695 N PHE A 48 18.361 -14.281 1.664 1.00 25.43 N ATOM 696 CA PHE A 48 18.032 -15.602 2.188 1.00 14.30 C ATOM 697 C PHE A 48 18.979 -15.990 3.319 1.00 31.44 C ATOM 698 O PHE A 48 20.199 -15.960 3.160 1.00 64.12 O ATOM 699 CB PHE A 48 18.096 -16.647 1.072 1.00 13.14 C ATOM 700 CG PHE A 48 16.748 -17.031 0.533 1.00 53.04 C ATOM 701 CD1 PHE A 48 16.178 -16.323 -0.514 1.00 22.25 C ATOM 702 CD2 PHE A 48 16.050 -18.100 1.072 1.00 52.42 C ATOM 703 CE1 PHE A 48 14.938 -16.674 -1.013 1.00 21.21 C ATOM 704 CE2 PHE A 48 14.810 -18.456 0.576 1.00 14.44 C ATOM 705 CZ PHE A 48 14.253 -17.741 -0.466 1.00 75.33 C ATOM 0 H PHE A 48 19.276 -14.221 1.217 1.00 25.43 H new ATOM 0 HA PHE A 48 17.017 -15.566 2.584 1.00 14.30 H new ATOM 0 HB2 PHE A 48 18.707 -16.260 0.257 1.00 13.14 H new ATOM 0 HB3 PHE A 48 18.595 -17.539 1.449 1.00 13.14 H new ATOM 0 HD1 PHE A 48 16.709 -15.487 -0.945 1.00 22.25 H new ATOM 0 HD2 PHE A 48 16.480 -18.661 1.889 1.00 52.42 H new ATOM 0 HE1 PHE A 48 14.505 -16.115 -1.829 1.00 21.21 H new ATOM 0 HE2 PHE A 48 14.277 -19.293 1.003 1.00 14.44 H new ATOM 0 HZ PHE A 48 13.283 -18.016 -0.853 1.00 75.33 H new ATOM 715 N TYR A 49 18.408 -16.354 4.462 1.00 32.41 N ATOM 716 CA TYR A 49 19.200 -16.746 5.622 1.00 61.23 C ATOM 717 C TYR A 49 18.567 -17.935 6.338 1.00 73.01 C ATOM 718 O TYR A 49 17.389 -17.903 6.694 1.00 61.15 O ATOM 719 CB TYR A 49 19.342 -15.570 6.589 1.00 21.25 C ATOM 720 CG TYR A 49 18.285 -14.505 6.407 1.00 41.43 C ATOM 721 CD1 TYR A 49 17.063 -14.591 7.063 1.00 41.04 C ATOM 722 CD2 TYR A 49 18.508 -13.412 5.578 1.00 73.12 C ATOM 723 CE1 TYR A 49 16.094 -13.620 6.898 1.00 20.23 C ATOM 724 CE2 TYR A 49 17.545 -12.436 5.409 1.00 50.13 C ATOM 725 CZ TYR A 49 16.340 -12.544 6.071 1.00 71.52 C ATOM 726 OH TYR A 49 15.378 -11.575 5.904 1.00 52.12 O ATOM 0 H TYR A 49 17.399 -16.386 4.610 1.00 32.41 H new ATOM 0 HA TYR A 49 20.189 -17.041 5.272 1.00 61.23 H new ATOM 0 HB2 TYR A 49 19.296 -15.944 7.612 1.00 21.25 H new ATOM 0 HB3 TYR A 49 20.326 -15.120 6.458 1.00 21.25 H new ATOM 0 HD1 TYR A 49 16.867 -15.431 7.713 1.00 41.04 H new ATOM 0 HD2 TYR A 49 19.450 -13.324 5.057 1.00 73.12 H new ATOM 0 HE1 TYR A 49 15.149 -13.703 7.414 1.00 20.23 H new ATOM 0 HE2 TYR A 49 17.735 -11.593 4.762 1.00 50.13 H new ATOM 0 HH TYR A 49 15.668 -10.747 6.340 1.00 52.12 H new ATOM 736 N GLU A 50 19.358 -18.983 6.546 1.00 3.50 N ATOM 737 CA GLU A 50 18.875 -20.182 7.220 1.00 64.34 C ATOM 738 C GLU A 50 19.366 -20.230 8.664 1.00 64.54 C ATOM 739 O GLU A 50 20.430 -20.780 8.951 1.00 31.31 O ATOM 740 CB GLU A 50 19.336 -21.435 6.471 1.00 53.32 C ATOM 741 CG GLU A 50 18.843 -21.501 5.035 1.00 41.11 C ATOM 742 CD GLU A 50 19.957 -21.301 4.026 1.00 4.11 C ATOM 743 OE1 GLU A 50 20.970 -22.027 4.110 1.00 71.43 O ATOM 744 OE2 GLU A 50 19.817 -20.419 3.154 1.00 44.43 O ATOM 0 H GLU A 50 20.335 -19.026 6.258 1.00 3.50 H new ATOM 0 HA GLU A 50 17.785 -20.151 7.226 1.00 64.34 H new ATOM 0 HB2 GLU A 50 20.425 -21.470 6.474 1.00 53.32 H new ATOM 0 HB3 GLU A 50 18.987 -22.318 7.007 1.00 53.32 H new ATOM 0 HG2 GLU A 50 18.370 -22.467 4.861 1.00 41.11 H new ATOM 0 HG3 GLU A 50 18.078 -20.740 4.882 1.00 41.11 H new ATOM 751 N TYR A 51 18.585 -19.651 9.568 1.00 54.45 N ATOM 752 CA TYR A 51 18.940 -19.624 10.981 1.00 22.23 C ATOM 753 C TYR A 51 17.990 -18.725 11.765 1.00 12.54 C ATOM 754 O TYR A 51 16.936 -18.330 11.265 1.00 44.34 O ATOM 755 CB TYR A 51 20.380 -19.140 11.157 1.00 4.15 C ATOM 756 CG TYR A 51 21.290 -20.165 11.797 1.00 50.24 C ATOM 757 CD1 TYR A 51 20.964 -20.749 13.014 1.00 32.21 C ATOM 758 CD2 TYR A 51 22.475 -20.550 11.182 1.00 4.50 C ATOM 759 CE1 TYR A 51 21.792 -21.685 13.602 1.00 63.42 C ATOM 760 CE2 TYR A 51 23.309 -21.486 11.762 1.00 63.13 C ATOM 761 CZ TYR A 51 22.964 -22.051 12.972 1.00 53.32 C ATOM 762 OH TYR A 51 23.791 -22.984 13.553 1.00 10.13 O ATOM 0 H TYR A 51 17.701 -19.193 9.347 1.00 54.45 H new ATOM 0 HA TYR A 51 18.854 -20.639 11.370 1.00 22.23 H new ATOM 0 HB2 TYR A 51 20.784 -18.866 10.182 1.00 4.15 H new ATOM 0 HB3 TYR A 51 20.379 -18.237 11.767 1.00 4.15 H new ATOM 0 HD1 TYR A 51 20.047 -20.466 13.509 1.00 32.21 H new ATOM 0 HD2 TYR A 51 22.749 -20.110 10.234 1.00 4.50 H new ATOM 0 HE1 TYR A 51 21.524 -22.128 14.550 1.00 63.42 H new ATOM 0 HE2 TYR A 51 24.227 -21.774 11.271 1.00 63.13 H new ATOM 0 HH TYR A 51 24.573 -23.130 12.980 1.00 10.13 H new ATOM 772 N ILE A 52 18.370 -18.404 12.997 1.00 24.25 N ATOM 773 CA ILE A 52 17.554 -17.550 13.851 1.00 40.01 C ATOM 774 C ILE A 52 17.183 -16.254 13.138 1.00 44.11 C ATOM 775 O ILE A 52 17.663 -15.980 12.039 1.00 55.44 O ATOM 776 CB ILE A 52 18.280 -17.210 15.166 1.00 14.21 C ATOM 777 CG1 ILE A 52 19.781 -17.050 14.919 1.00 22.31 C ATOM 778 CG2 ILE A 52 18.020 -18.288 16.208 1.00 3.51 C ATOM 779 CD1 ILE A 52 20.112 -16.053 13.830 1.00 31.55 C ATOM 0 H ILE A 52 19.239 -18.723 13.426 1.00 24.25 H new ATOM 0 HA ILE A 52 16.646 -18.108 14.081 1.00 40.01 H new ATOM 0 HB ILE A 52 17.891 -16.265 15.545 1.00 14.21 H new ATOM 0 HG12 ILE A 52 20.262 -16.737 15.846 1.00 22.31 H new ATOM 0 HG13 ILE A 52 20.203 -18.019 14.653 1.00 22.31 H new ATOM 0 HG21 ILE A 52 18.540 -18.034 17.132 1.00 3.51 H new ATOM 0 HG22 ILE A 52 16.949 -18.357 16.401 1.00 3.51 H new ATOM 0 HG23 ILE A 52 18.385 -19.247 15.839 1.00 3.51 H new ATOM 0 HD11 ILE A 52 21.194 -15.991 13.710 1.00 31.55 H new ATOM 0 HD12 ILE A 52 19.660 -16.376 12.892 1.00 31.55 H new ATOM 0 HD13 ILE A 52 19.721 -15.073 14.103 1.00 31.55 H new ATOM 791 N ASN A 53 16.328 -15.459 13.773 1.00 20.31 N ATOM 792 CA ASN A 53 15.894 -14.190 13.200 1.00 33.51 C ATOM 793 C ASN A 53 16.871 -13.072 13.550 1.00 30.54 C ATOM 794 O ASN A 53 16.470 -12.009 14.024 1.00 21.24 O ATOM 795 CB ASN A 53 14.493 -13.834 13.701 1.00 54.20 C ATOM 796 CG ASN A 53 13.420 -14.717 13.095 1.00 74.43 C ATOM 797 OD1 ASN A 53 12.715 -15.434 13.806 1.00 70.03 O ATOM 798 ND2 ASN A 53 13.291 -14.670 11.774 1.00 61.22 N ATOM 0 H ASN A 53 15.922 -15.671 14.684 1.00 20.31 H new ATOM 0 HA ASN A 53 15.869 -14.299 12.116 1.00 33.51 H new ATOM 0 HB2 ASN A 53 14.464 -13.926 14.787 1.00 54.20 H new ATOM 0 HB3 ASN A 53 14.279 -12.792 13.463 1.00 54.20 H new ATOM 0 HD21 ASN A 53 12.586 -15.243 11.310 1.00 61.22 H new ATOM 0 HD22 ASN A 53 13.897 -14.061 11.224 1.00 61.22 H new ATOM 805 N TYR A 54 18.154 -13.320 13.313 1.00 22.43 N ATOM 806 CA TYR A 54 19.189 -12.336 13.605 1.00 5.12 C ATOM 807 C TYR A 54 20.576 -12.900 13.312 1.00 62.25 C ATOM 808 O TYR A 54 21.521 -12.683 14.070 1.00 75.44 O ATOM 809 CB TYR A 54 19.105 -11.895 15.067 1.00 4.33 C ATOM 810 CG TYR A 54 18.984 -13.045 16.041 1.00 74.10 C ATOM 811 CD1 TYR A 54 20.113 -13.688 16.532 1.00 0.35 C ATOM 812 CD2 TYR A 54 17.739 -13.489 16.470 1.00 14.41 C ATOM 813 CE1 TYR A 54 20.006 -14.740 17.421 1.00 2.45 C ATOM 814 CE2 TYR A 54 17.622 -14.539 17.360 1.00 3.21 C ATOM 815 CZ TYR A 54 18.759 -15.161 17.832 1.00 31.45 C ATOM 816 OH TYR A 54 18.648 -16.208 18.719 1.00 4.11 O ATOM 0 H TYR A 54 18.502 -14.194 12.919 1.00 22.43 H new ATOM 0 HA TYR A 54 19.024 -11.472 12.961 1.00 5.12 H new ATOM 0 HB2 TYR A 54 19.993 -11.313 15.314 1.00 4.33 H new ATOM 0 HB3 TYR A 54 18.247 -11.234 15.190 1.00 4.33 H new ATOM 0 HD1 TYR A 54 21.091 -13.360 16.213 1.00 0.35 H new ATOM 0 HD2 TYR A 54 16.847 -13.005 16.101 1.00 14.41 H new ATOM 0 HE1 TYR A 54 20.894 -15.230 17.792 1.00 2.45 H new ATOM 0 HE2 TYR A 54 16.647 -14.871 17.684 1.00 3.21 H new ATOM 0 HH TYR A 54 17.701 -16.379 18.907 1.00 4.11 H new ATOM 826 N GLY A 55 20.690 -13.626 12.203 1.00 22.02 N ATOM 827 CA GLY A 55 21.964 -14.210 11.827 1.00 21.40 C ATOM 828 C GLY A 55 21.820 -15.276 10.759 1.00 22.40 C ATOM 829 O GLY A 55 20.852 -15.277 9.999 1.00 25.44 O ATOM 0 H GLY A 55 19.923 -13.820 11.559 1.00 22.02 H new ATOM 0 HA2 GLY A 55 22.628 -13.425 11.465 1.00 21.40 H new ATOM 0 HA3 GLY A 55 22.435 -14.644 12.709 1.00 21.40 H new ATOM 833 N GLY A 56 22.788 -16.187 10.699 1.00 14.32 N ATOM 834 CA GLY A 56 22.746 -17.249 9.712 1.00 63.24 C ATOM 835 C GLY A 56 23.560 -16.923 8.475 1.00 74.13 C ATOM 836 O GLY A 56 24.291 -15.933 8.448 1.00 52.02 O ATOM 0 H GLY A 56 23.600 -16.208 11.316 1.00 14.32 H new ATOM 0 HA2 GLY A 56 23.121 -18.170 10.158 1.00 63.24 H new ATOM 0 HA3 GLY A 56 21.711 -17.433 9.424 1.00 63.24 H new ATOM 840 N ARG A 57 23.434 -17.758 7.449 1.00 60.24 N ATOM 841 CA ARG A 57 24.166 -17.555 6.204 1.00 31.01 C ATOM 842 C ARG A 57 23.469 -16.520 5.326 1.00 11.54 C ATOM 843 O ARG A 57 22.404 -16.781 4.766 1.00 64.41 O ATOM 844 CB ARG A 57 24.299 -18.876 5.445 1.00 63.24 C ATOM 845 CG ARG A 57 24.849 -18.716 4.037 1.00 62.44 C ATOM 846 CD ARG A 57 23.818 -19.105 2.989 1.00 64.35 C ATOM 847 NE ARG A 57 24.439 -19.450 1.712 1.00 53.40 N ATOM 848 CZ ARG A 57 23.798 -20.068 0.727 1.00 72.24 C ATOM 849 NH1 ARG A 57 22.524 -20.408 0.870 1.00 23.22 N ATOM 850 NH2 ARG A 57 24.431 -20.348 -0.406 1.00 13.53 N ATOM 0 H ARG A 57 22.832 -18.581 7.455 1.00 60.24 H new ATOM 0 HA ARG A 57 25.161 -17.185 6.453 1.00 31.01 H new ATOM 0 HB2 ARG A 57 24.951 -19.544 6.007 1.00 63.24 H new ATOM 0 HB3 ARG A 57 23.321 -19.355 5.392 1.00 63.24 H new ATOM 0 HG2 ARG A 57 25.156 -17.682 3.881 1.00 62.44 H new ATOM 0 HG3 ARG A 57 25.739 -19.334 3.920 1.00 62.44 H new ATOM 0 HD2 ARG A 57 23.236 -19.953 3.350 1.00 64.35 H new ATOM 0 HD3 ARG A 57 23.121 -18.280 2.842 1.00 64.35 H new ATOM 0 HE ARG A 57 25.418 -19.203 1.570 1.00 53.40 H new ATOM 0 HH11 ARG A 57 22.034 -20.195 1.739 1.00 23.22 H new ATOM 0 HH12 ARG A 57 22.035 -20.883 0.111 1.00 23.22 H new ATOM 0 HH21 ARG A 57 25.411 -20.088 -0.520 1.00 13.53 H new ATOM 0 HH22 ARG A 57 23.938 -20.823 -1.162 1.00 13.53 H new ATOM 864 N TYR A 58 24.076 -15.344 5.212 1.00 1.45 N ATOM 865 CA TYR A 58 23.513 -14.268 4.406 1.00 53.43 C ATOM 866 C TYR A 58 23.775 -14.505 2.922 1.00 42.43 C ATOM 867 O TYR A 58 24.909 -14.396 2.456 1.00 64.34 O ATOM 868 CB TYR A 58 24.102 -12.921 4.831 1.00 73.44 C ATOM 869 CG TYR A 58 23.864 -11.814 3.829 1.00 2.54 C ATOM 870 CD1 TYR A 58 22.630 -11.663 3.210 1.00 51.13 C ATOM 871 CD2 TYR A 58 24.874 -10.917 3.504 1.00 44.42 C ATOM 872 CE1 TYR A 58 22.409 -10.653 2.294 1.00 40.42 C ATOM 873 CE2 TYR A 58 24.662 -9.902 2.590 1.00 21.41 C ATOM 874 CZ TYR A 58 23.428 -9.775 1.988 1.00 51.15 C ATOM 875 OH TYR A 58 23.211 -8.766 1.077 1.00 64.33 O ATOM 0 H TYR A 58 24.958 -15.112 5.668 1.00 1.45 H new ATOM 0 HA TYR A 58 22.435 -14.253 4.568 1.00 53.43 H new ATOM 0 HB2 TYR A 58 23.671 -12.631 5.789 1.00 73.44 H new ATOM 0 HB3 TYR A 58 25.175 -13.035 4.986 1.00 73.44 H new ATOM 0 HD1 TYR A 58 21.829 -12.347 3.449 1.00 51.13 H new ATOM 0 HD2 TYR A 58 25.842 -11.014 3.974 1.00 44.42 H new ATOM 0 HE1 TYR A 58 21.444 -10.551 1.820 1.00 40.42 H new ATOM 0 HE2 TYR A 58 25.458 -9.213 2.349 1.00 21.41 H new ATOM 0 HH TYR A 58 23.279 -9.126 0.168 1.00 64.33 H new ATOM 885 N TRP A 59 22.718 -14.828 2.185 1.00 3.23 N ATOM 886 CA TRP A 59 22.833 -15.080 0.753 1.00 10.23 C ATOM 887 C TRP A 59 21.673 -14.444 -0.006 1.00 24.52 C ATOM 888 O TRP A 59 20.538 -14.915 0.069 1.00 63.52 O ATOM 889 CB TRP A 59 22.874 -16.584 0.481 1.00 34.40 C ATOM 890 CG TRP A 59 22.327 -16.960 -0.863 1.00 15.21 C ATOM 891 CD1 TRP A 59 22.809 -16.575 -2.081 1.00 3.20 C ATOM 892 CD2 TRP A 59 21.192 -17.793 -1.124 1.00 14.31 C ATOM 893 NE1 TRP A 59 22.043 -17.118 -3.084 1.00 33.24 N ATOM 894 CE2 TRP A 59 21.045 -17.870 -2.523 1.00 34.13 C ATOM 895 CE3 TRP A 59 20.287 -18.482 -0.312 1.00 73.35 C ATOM 896 CZ2 TRP A 59 20.029 -18.608 -3.124 1.00 71.24 C ATOM 897 CZ3 TRP A 59 19.279 -19.214 -0.911 1.00 70.11 C ATOM 898 CH2 TRP A 59 19.157 -19.273 -2.306 1.00 31.32 C ATOM 0 H TRP A 59 21.772 -14.922 2.555 1.00 3.23 H new ATOM 0 HA TRP A 59 23.762 -14.630 0.403 1.00 10.23 H new ATOM 0 HB2 TRP A 59 23.904 -16.932 0.556 1.00 34.40 H new ATOM 0 HB3 TRP A 59 22.306 -17.101 1.254 1.00 34.40 H new ATOM 0 HD1 TRP A 59 23.667 -15.937 -2.234 1.00 3.20 H new ATOM 0 HE1 TRP A 59 22.193 -16.983 -4.084 1.00 33.24 H new ATOM 0 HE3 TRP A 59 20.374 -18.443 0.764 1.00 73.35 H new ATOM 0 HZ2 TRP A 59 19.933 -18.654 -4.199 1.00 71.24 H new ATOM 0 HZ3 TRP A 59 18.573 -19.750 -0.293 1.00 70.11 H new ATOM 0 HH2 TRP A 59 18.359 -19.855 -2.744 1.00 31.32 H new ATOM 909 N ASP A 60 21.966 -13.374 -0.736 1.00 13.34 N ATOM 910 CA ASP A 60 20.947 -12.675 -1.510 1.00 15.42 C ATOM 911 C ASP A 60 20.925 -13.170 -2.952 1.00 73.43 C ATOM 912 O ASP A 60 21.937 -13.639 -3.474 1.00 61.34 O ATOM 913 CB ASP A 60 21.198 -11.166 -1.480 1.00 20.34 C ATOM 914 CG ASP A 60 22.657 -10.818 -1.697 1.00 25.21 C ATOM 915 OD1 ASP A 60 23.451 -10.963 -0.743 1.00 72.31 O ATOM 916 OD2 ASP A 60 23.007 -10.402 -2.821 1.00 14.40 O ATOM 0 H ASP A 60 22.901 -12.972 -0.808 1.00 13.34 H new ATOM 0 HA ASP A 60 19.977 -12.883 -1.058 1.00 15.42 H new ATOM 0 HB2 ASP A 60 20.594 -10.685 -2.249 1.00 20.34 H new ATOM 0 HB3 ASP A 60 20.871 -10.765 -0.521 1.00 20.34 H new ATOM 921 N LEU A 61 19.765 -13.065 -3.591 1.00 52.22 N ATOM 922 CA LEU A 61 19.610 -13.503 -4.974 1.00 22.31 C ATOM 923 C LEU A 61 19.280 -12.325 -5.885 1.00 75.50 C ATOM 924 O LEU A 61 18.482 -11.458 -5.531 1.00 31.41 O ATOM 925 CB LEU A 61 18.512 -14.564 -5.074 1.00 4.24 C ATOM 926 CG LEU A 61 17.106 -14.114 -4.675 1.00 24.03 C ATOM 927 CD1 LEU A 61 16.056 -14.967 -5.369 1.00 20.01 C ATOM 928 CD2 LEU A 61 16.935 -14.178 -3.164 1.00 54.31 C ATOM 0 H LEU A 61 18.918 -12.680 -3.173 1.00 52.22 H new ATOM 0 HA LEU A 61 20.556 -13.936 -5.300 1.00 22.31 H new ATOM 0 HB2 LEU A 61 18.478 -14.927 -6.101 1.00 4.24 H new ATOM 0 HB3 LEU A 61 18.793 -15.409 -4.446 1.00 4.24 H new ATOM 0 HG LEU A 61 16.972 -13.080 -4.992 1.00 24.03 H new ATOM 0 HD11 LEU A 61 15.062 -14.632 -5.073 1.00 20.01 H new ATOM 0 HD12 LEU A 61 16.165 -14.871 -6.449 1.00 20.01 H new ATOM 0 HD13 LEU A 61 16.188 -16.010 -5.083 1.00 20.01 H new ATOM 0 HD21 LEU A 61 15.929 -13.854 -2.898 1.00 54.31 H new ATOM 0 HD22 LEU A 61 17.089 -15.202 -2.823 1.00 54.31 H new ATOM 0 HD23 LEU A 61 17.665 -13.524 -2.687 1.00 54.31 H new ATOM 940 N GLY A 62 19.897 -12.303 -7.062 1.00 43.42 N ATOM 941 CA GLY A 62 19.654 -11.228 -8.007 1.00 30.21 C ATOM 942 C GLY A 62 18.901 -11.697 -9.237 1.00 5.34 C ATOM 943 O GLY A 62 18.400 -12.820 -9.293 1.00 43.25 O ATOM 0 H GLY A 62 20.561 -13.010 -7.378 1.00 43.42 H new ATOM 0 HA2 GLY A 62 19.086 -10.438 -7.516 1.00 30.21 H new ATOM 0 HA3 GLY A 62 20.606 -10.794 -8.311 1.00 30.21 H new ATOM 947 N PRO A 63 18.813 -10.822 -10.250 1.00 30.32 N ATOM 948 CA PRO A 63 18.116 -11.130 -11.502 1.00 65.04 C ATOM 949 C PRO A 63 18.499 -12.498 -12.058 1.00 2.34 C ATOM 950 O PRO A 63 19.546 -12.653 -12.685 1.00 22.14 O ATOM 951 CB PRO A 63 18.581 -10.020 -12.448 1.00 52.25 C ATOM 952 CG PRO A 63 18.932 -8.882 -11.554 1.00 15.45 C ATOM 953 CD PRO A 63 19.387 -9.466 -10.251 1.00 34.02 C ATOM 0 HA PRO A 63 17.035 -11.170 -11.367 1.00 65.04 H new ATOM 0 HB2 PRO A 63 19.440 -10.338 -13.039 1.00 52.25 H new ATOM 0 HB3 PRO A 63 17.795 -9.744 -13.150 1.00 52.25 H new ATOM 0 HG2 PRO A 63 19.719 -8.272 -11.998 1.00 15.45 H new ATOM 0 HG3 PRO A 63 18.071 -8.231 -11.404 1.00 15.45 H new ATOM 0 HD2 PRO A 63 20.475 -9.493 -10.183 1.00 34.02 H new ATOM 0 HD3 PRO A 63 19.029 -8.880 -9.404 1.00 34.02 H new ATOM 961 N GLY A 64 17.643 -13.487 -11.823 1.00 72.51 N ATOM 962 CA GLY A 64 17.909 -14.829 -12.307 1.00 65.32 C ATOM 963 C GLY A 64 17.201 -15.892 -11.491 1.00 14.32 C ATOM 964 O GLY A 64 16.657 -15.604 -10.425 1.00 3.11 O ATOM 0 H GLY A 64 16.770 -13.383 -11.306 1.00 72.51 H new ATOM 0 HA2 GLY A 64 17.594 -14.905 -13.348 1.00 65.32 H new ATOM 0 HA3 GLY A 64 18.983 -15.014 -12.284 1.00 65.32 H new ATOM 968 N GLU A 65 17.205 -17.123 -11.993 1.00 14.41 N ATOM 969 CA GLU A 65 16.554 -18.230 -11.303 1.00 23.51 C ATOM 970 C GLU A 65 17.573 -19.065 -10.532 1.00 44.22 C ATOM 971 O GLU A 65 18.717 -19.219 -10.961 1.00 62.21 O ATOM 972 CB GLU A 65 15.807 -19.115 -12.303 1.00 53.10 C ATOM 973 CG GLU A 65 14.894 -20.138 -11.648 1.00 4.05 C ATOM 974 CD GLU A 65 15.109 -21.540 -12.184 1.00 41.23 C ATOM 975 OE1 GLU A 65 14.689 -21.808 -13.329 1.00 62.12 O ATOM 976 OE2 GLU A 65 15.698 -22.368 -11.459 1.00 32.54 O ATOM 0 H GLU A 65 17.651 -17.378 -12.874 1.00 14.41 H new ATOM 0 HA GLU A 65 15.840 -17.812 -10.593 1.00 23.51 H new ATOM 0 HB2 GLU A 65 15.214 -18.482 -12.963 1.00 53.10 H new ATOM 0 HB3 GLU A 65 16.533 -19.636 -12.927 1.00 53.10 H new ATOM 0 HG2 GLU A 65 15.064 -20.135 -10.571 1.00 4.05 H new ATOM 0 HG3 GLU A 65 13.856 -19.847 -11.807 1.00 4.05 H new ATOM 983 N TYR A 66 17.150 -19.600 -9.392 1.00 42.44 N ATOM 984 CA TYR A 66 18.026 -20.416 -8.559 1.00 53.45 C ATOM 985 C TYR A 66 17.347 -21.728 -8.178 1.00 43.13 C ATOM 986 O TYR A 66 16.122 -21.803 -8.087 1.00 1.31 O ATOM 987 CB TYR A 66 18.424 -19.649 -7.297 1.00 53.12 C ATOM 988 CG TYR A 66 19.307 -20.441 -6.361 1.00 22.55 C ATOM 989 CD1 TYR A 66 20.651 -20.647 -6.649 1.00 73.44 C ATOM 990 CD2 TYR A 66 18.799 -20.985 -5.188 1.00 34.34 C ATOM 991 CE1 TYR A 66 21.462 -21.372 -5.797 1.00 53.50 C ATOM 992 CE2 TYR A 66 19.603 -21.709 -4.329 1.00 35.43 C ATOM 993 CZ TYR A 66 20.933 -21.900 -4.638 1.00 2.02 C ATOM 994 OH TYR A 66 21.737 -22.622 -3.786 1.00 11.15 O ATOM 0 H TYR A 66 16.206 -19.483 -9.024 1.00 42.44 H new ATOM 0 HA TYR A 66 18.923 -20.646 -9.134 1.00 53.45 H new ATOM 0 HB2 TYR A 66 18.943 -18.735 -7.586 1.00 53.12 H new ATOM 0 HB3 TYR A 66 17.522 -19.349 -6.765 1.00 53.12 H new ATOM 0 HD1 TYR A 66 21.069 -20.233 -7.555 1.00 73.44 H new ATOM 0 HD2 TYR A 66 17.757 -20.839 -4.943 1.00 34.34 H new ATOM 0 HE1 TYR A 66 22.504 -21.524 -6.037 1.00 53.50 H new ATOM 0 HE2 TYR A 66 19.192 -22.123 -3.420 1.00 35.43 H new ATOM 0 HH TYR A 66 21.211 -22.923 -3.016 1.00 11.15 H new ATOM 1004 N SER A 67 18.154 -22.761 -7.956 1.00 50.23 N ATOM 1005 CA SER A 67 17.633 -24.072 -7.588 1.00 22.01 C ATOM 1006 C SER A 67 18.153 -24.498 -6.218 1.00 52.40 C ATOM 1007 O SER A 67 19.230 -25.082 -6.105 1.00 21.13 O ATOM 1008 CB SER A 67 18.023 -25.113 -8.639 1.00 55.25 C ATOM 1009 OG SER A 67 17.121 -26.206 -8.633 1.00 25.53 O ATOM 0 H SER A 67 19.171 -22.715 -8.025 1.00 50.23 H new ATOM 0 HA SER A 67 16.546 -24.003 -7.540 1.00 22.01 H new ATOM 0 HB2 SER A 67 18.033 -24.651 -9.626 1.00 55.25 H new ATOM 0 HB3 SER A 67 19.034 -25.471 -8.444 1.00 55.25 H new ATOM 0 HG SER A 67 17.391 -26.857 -9.314 1.00 25.53 H new ATOM 1015 N SER A 68 17.378 -24.200 -5.180 1.00 3.44 N ATOM 1016 CA SER A 68 17.761 -24.547 -3.816 1.00 71.21 C ATOM 1017 C SER A 68 17.350 -25.979 -3.485 1.00 3.21 C ATOM 1018 O SER A 68 16.218 -26.233 -3.075 1.00 75.13 O ATOM 1019 CB SER A 68 17.120 -23.578 -2.821 1.00 41.42 C ATOM 1020 OG SER A 68 16.888 -22.314 -3.418 1.00 52.33 O ATOM 0 H SER A 68 16.482 -23.719 -5.257 1.00 3.44 H new ATOM 0 HA SER A 68 18.846 -24.471 -3.739 1.00 71.21 H new ATOM 0 HB2 SER A 68 16.178 -23.992 -2.461 1.00 41.42 H new ATOM 0 HB3 SER A 68 17.769 -23.460 -1.953 1.00 41.42 H new ATOM 0 HG SER A 68 17.622 -22.103 -4.032 1.00 52.33 H new ATOM 1026 N VAL A 69 18.280 -26.911 -3.665 1.00 62.35 N ATOM 1027 CA VAL A 69 18.017 -28.318 -3.385 1.00 41.24 C ATOM 1028 C VAL A 69 19.291 -29.042 -2.966 1.00 62.42 C ATOM 1029 O VAL A 69 19.460 -30.230 -3.240 1.00 34.11 O ATOM 1030 CB VAL A 69 17.413 -29.031 -4.610 1.00 44.41 C ATOM 1031 CG1 VAL A 69 16.071 -28.417 -4.977 1.00 34.52 C ATOM 1032 CG2 VAL A 69 18.375 -28.972 -5.787 1.00 71.15 C ATOM 0 H VAL A 69 19.223 -26.717 -4.004 1.00 62.35 H new ATOM 0 HA VAL A 69 17.299 -28.349 -2.566 1.00 41.24 H new ATOM 0 HB VAL A 69 17.249 -30.078 -4.356 1.00 44.41 H new ATOM 0 HG11 VAL A 69 15.660 -28.933 -5.844 1.00 34.52 H new ATOM 0 HG12 VAL A 69 15.384 -28.515 -4.137 1.00 34.52 H new ATOM 0 HG13 VAL A 69 16.206 -27.362 -5.214 1.00 34.52 H new ATOM 0 HG21 VAL A 69 17.933 -29.480 -6.644 1.00 71.15 H new ATOM 0 HG22 VAL A 69 18.572 -27.931 -6.044 1.00 71.15 H new ATOM 0 HG23 VAL A 69 19.310 -29.462 -5.517 1.00 71.15 H new ATOM 1042 N GLU A 70 20.185 -28.318 -2.300 1.00 23.51 N ATOM 1043 CA GLU A 70 21.445 -28.893 -1.843 1.00 61.41 C ATOM 1044 C GLU A 70 22.188 -27.921 -0.931 1.00 72.10 C ATOM 1045 O GLU A 70 23.418 -27.910 -0.888 1.00 31.53 O ATOM 1046 CB GLU A 70 22.326 -29.263 -3.038 1.00 40.55 C ATOM 1047 CG GLU A 70 22.687 -28.077 -3.918 1.00 21.04 C ATOM 1048 CD GLU A 70 22.485 -28.362 -5.393 1.00 64.12 C ATOM 1049 OE1 GLU A 70 21.318 -28.418 -5.833 1.00 61.30 O ATOM 1050 OE2 GLU A 70 23.496 -28.529 -6.108 1.00 52.21 O ATOM 0 H GLU A 70 20.060 -27.333 -2.065 1.00 23.51 H new ATOM 0 HA GLU A 70 21.218 -29.795 -1.275 1.00 61.41 H new ATOM 0 HB2 GLU A 70 23.243 -29.727 -2.673 1.00 40.55 H new ATOM 0 HB3 GLU A 70 21.810 -30.009 -3.642 1.00 40.55 H new ATOM 0 HG2 GLU A 70 22.080 -27.219 -3.631 1.00 21.04 H new ATOM 0 HG3 GLU A 70 23.728 -27.804 -3.744 1.00 21.04 H new ATOM 1057 N SER A 71 21.431 -27.105 -0.204 1.00 71.31 N ATOM 1058 CA SER A 71 22.016 -26.126 0.704 1.00 43.00 C ATOM 1059 C SER A 71 20.929 -25.332 1.421 1.00 14.01 C ATOM 1060 O SER A 71 20.750 -25.457 2.632 1.00 32.22 O ATOM 1061 CB SER A 71 22.937 -25.174 -0.063 1.00 33.42 C ATOM 1062 OG SER A 71 24.266 -25.249 0.423 1.00 70.15 O ATOM 0 H SER A 71 20.411 -27.103 -0.226 1.00 71.31 H new ATOM 0 HA SER A 71 22.601 -26.664 1.450 1.00 43.00 H new ATOM 0 HB2 SER A 71 22.920 -25.423 -1.124 1.00 33.42 H new ATOM 0 HB3 SER A 71 22.569 -24.152 0.031 1.00 33.42 H new ATOM 0 HG SER A 71 24.835 -24.633 -0.084 1.00 70.15 H new ATOM 1068 N ALA A 72 20.205 -24.514 0.664 1.00 72.45 N ATOM 1069 CA ALA A 72 19.133 -23.701 1.225 1.00 64.01 C ATOM 1070 C ALA A 72 17.907 -24.551 1.541 1.00 40.45 C ATOM 1071 O ALA A 72 17.199 -24.298 2.514 1.00 14.20 O ATOM 1072 CB ALA A 72 18.767 -22.577 0.267 1.00 31.01 C ATOM 0 H ALA A 72 20.342 -24.397 -0.340 1.00 72.45 H new ATOM 0 HA ALA A 72 19.490 -23.266 2.158 1.00 64.01 H new ATOM 0 HB1 ALA A 72 17.965 -21.978 0.699 1.00 31.01 H new ATOM 0 HB2 ALA A 72 19.639 -21.946 0.096 1.00 31.01 H new ATOM 0 HB3 ALA A 72 18.434 -23.001 -0.680 1.00 31.01 H new ATOM 1078 N GLY A 73 17.662 -25.559 0.710 1.00 74.42 N ATOM 1079 CA GLY A 73 16.519 -26.430 0.917 1.00 24.24 C ATOM 1080 C GLY A 73 16.636 -27.246 2.189 1.00 22.53 C ATOM 1081 O GLY A 73 15.694 -27.316 2.979 1.00 52.22 O ATOM 0 H GLY A 73 18.234 -25.788 -0.103 1.00 74.42 H new ATOM 0 HA2 GLY A 73 15.610 -25.829 0.957 1.00 24.24 H new ATOM 0 HA3 GLY A 73 16.419 -27.103 0.065 1.00 24.24 H new ATOM 1085 N ILE A 74 17.794 -27.867 2.388 1.00 62.12 N ATOM 1086 CA ILE A 74 18.030 -28.683 3.572 1.00 13.05 C ATOM 1087 C ILE A 74 19.103 -28.064 4.462 1.00 60.24 C ATOM 1088 O ILE A 74 20.239 -28.535 4.526 1.00 73.42 O ATOM 1089 CB ILE A 74 18.454 -30.114 3.195 1.00 64.42 C ATOM 1090 CG1 ILE A 74 19.576 -30.079 2.154 1.00 34.43 C ATOM 1091 CG2 ILE A 74 17.262 -30.900 2.670 1.00 13.40 C ATOM 1092 CD1 ILE A 74 19.075 -30.051 0.727 1.00 11.12 C ATOM 0 H ILE A 74 18.584 -27.820 1.744 1.00 62.12 H new ATOM 0 HA ILE A 74 17.088 -28.725 4.119 1.00 13.05 H new ATOM 0 HB ILE A 74 18.828 -30.613 4.089 1.00 64.42 H new ATOM 0 HG12 ILE A 74 20.197 -29.200 2.330 1.00 34.43 H new ATOM 0 HG13 ILE A 74 20.214 -30.952 2.290 1.00 34.43 H new ATOM 0 HG21 ILE A 74 17.579 -31.910 2.408 1.00 13.40 H new ATOM 0 HG22 ILE A 74 16.492 -30.950 3.439 1.00 13.40 H new ATOM 0 HG23 ILE A 74 16.860 -30.405 1.786 1.00 13.40 H new ATOM 0 HD11 ILE A 74 19.924 -30.027 0.044 1.00 11.12 H new ATOM 0 HD12 ILE A 74 18.478 -30.942 0.533 1.00 11.12 H new ATOM 0 HD13 ILE A 74 18.461 -29.163 0.574 1.00 11.12 H new ATOM 1104 N PRO A 75 18.737 -26.983 5.166 1.00 33.44 N ATOM 1105 CA PRO A 75 19.653 -26.278 6.067 1.00 0.21 C ATOM 1106 C PRO A 75 19.999 -27.101 7.304 1.00 54.45 C ATOM 1107 O PRO A 75 21.169 -27.244 7.658 1.00 32.11 O ATOM 1108 CB PRO A 75 18.868 -25.024 6.461 1.00 32.33 C ATOM 1109 CG PRO A 75 17.437 -25.404 6.291 1.00 24.20 C ATOM 1110 CD PRO A 75 17.400 -26.367 5.139 1.00 75.33 C ATOM 0 HA PRO A 75 20.610 -26.066 5.591 1.00 0.21 H new ATOM 0 HB2 PRO A 75 19.080 -24.731 7.489 1.00 32.33 H new ATOM 0 HB3 PRO A 75 19.131 -24.177 5.827 1.00 32.33 H new ATOM 0 HG2 PRO A 75 17.045 -25.865 7.198 1.00 24.20 H new ATOM 0 HG3 PRO A 75 16.822 -24.528 6.087 1.00 24.20 H new ATOM 0 HD2 PRO A 75 16.613 -27.111 5.262 1.00 75.33 H new ATOM 0 HD3 PRO A 75 17.212 -25.857 4.194 1.00 75.33 H new ATOM 1118 N ASP A 76 18.974 -27.639 7.955 1.00 21.14 N ATOM 1119 CA ASP A 76 19.170 -28.449 9.152 1.00 72.41 C ATOM 1120 C ASP A 76 17.847 -29.038 9.632 1.00 11.32 C ATOM 1121 O ASP A 76 17.674 -30.255 9.667 1.00 61.21 O ATOM 1122 CB ASP A 76 19.803 -27.611 10.264 1.00 71.05 C ATOM 1123 CG ASP A 76 19.700 -28.277 11.621 1.00 34.24 C ATOM 1124 OD1 ASP A 76 20.184 -29.420 11.760 1.00 53.24 O ATOM 1125 OD2 ASP A 76 19.134 -27.656 12.546 1.00 73.42 O ATOM 0 H ASP A 76 17.999 -27.529 7.675 1.00 21.14 H new ATOM 0 HA ASP A 76 19.842 -29.269 8.899 1.00 72.41 H new ATOM 0 HB2 ASP A 76 20.852 -27.433 10.028 1.00 71.05 H new ATOM 0 HB3 ASP A 76 19.316 -26.637 10.303 1.00 71.05 H new ATOM 1130 N ASN A 77 16.916 -28.164 10.003 1.00 64.11 N ATOM 1131 CA ASN A 77 15.609 -28.597 10.483 1.00 22.21 C ATOM 1132 C ASN A 77 14.510 -27.665 9.983 1.00 73.43 C ATOM 1133 O ASN A 77 14.010 -27.820 8.868 1.00 21.24 O ATOM 1134 CB ASN A 77 15.595 -28.646 12.012 1.00 30.12 C ATOM 1135 CG ASN A 77 16.364 -29.833 12.560 1.00 51.01 C ATOM 1136 OD1 ASN A 77 17.550 -30.002 12.277 1.00 22.14 O ATOM 1137 ND2 ASN A 77 15.689 -30.662 13.348 1.00 64.10 N ATOM 0 H ASN A 77 17.043 -27.152 9.980 1.00 64.11 H new ATOM 0 HA ASN A 77 15.419 -29.597 10.092 1.00 22.21 H new ATOM 0 HB2 ASN A 77 16.025 -27.725 12.406 1.00 30.12 H new ATOM 0 HB3 ASN A 77 14.564 -28.692 12.362 1.00 30.12 H new ATOM 0 HD21 ASN A 77 16.153 -31.479 13.746 1.00 64.10 H new ATOM 0 HD22 ASN A 77 14.707 -30.482 13.555 1.00 64.10 H new ATOM 1144 N SER A 78 14.138 -26.697 10.814 1.00 21.32 N ATOM 1145 CA SER A 78 13.096 -25.742 10.458 1.00 53.10 C ATOM 1146 C SER A 78 13.452 -24.341 10.947 1.00 62.41 C ATOM 1147 O SER A 78 12.657 -23.687 11.622 1.00 3.03 O ATOM 1148 CB SER A 78 11.753 -26.175 11.051 1.00 44.03 C ATOM 1149 OG SER A 78 11.701 -27.581 11.221 1.00 11.21 O ATOM 0 H SER A 78 14.543 -26.553 11.739 1.00 21.32 H new ATOM 0 HA SER A 78 13.015 -25.719 9.371 1.00 53.10 H new ATOM 0 HB2 SER A 78 11.601 -25.683 12.012 1.00 44.03 H new ATOM 0 HB3 SER A 78 10.942 -25.854 10.397 1.00 44.03 H new ATOM 0 HG SER A 78 11.310 -27.993 10.422 1.00 11.21 H new ATOM 1155 N ILE A 79 14.652 -23.889 10.601 1.00 45.42 N ATOM 1156 CA ILE A 79 15.115 -22.566 11.003 1.00 14.10 C ATOM 1157 C ILE A 79 15.674 -21.794 9.813 1.00 10.31 C ATOM 1158 O ILE A 79 16.879 -21.806 9.563 1.00 61.52 O ATOM 1159 CB ILE A 79 16.195 -22.656 12.096 1.00 4.34 C ATOM 1160 CG1 ILE A 79 17.234 -23.718 11.731 1.00 21.24 C ATOM 1161 CG2 ILE A 79 15.561 -22.968 13.444 1.00 43.23 C ATOM 1162 CD1 ILE A 79 16.887 -25.101 12.237 1.00 63.01 C ATOM 0 H ILE A 79 15.322 -24.419 10.043 1.00 45.42 H new ATOM 0 HA ILE A 79 14.250 -22.037 11.402 1.00 14.10 H new ATOM 0 HB ILE A 79 16.699 -21.692 12.168 1.00 4.34 H new ATOM 0 HG12 ILE A 79 17.341 -23.753 10.647 1.00 21.24 H new ATOM 0 HG13 ILE A 79 18.201 -23.423 12.137 1.00 21.24 H new ATOM 0 HG21 ILE A 79 16.338 -23.028 14.206 1.00 43.23 H new ATOM 0 HG22 ILE A 79 14.856 -22.179 13.706 1.00 43.23 H new ATOM 0 HG23 ILE A 79 15.034 -23.921 13.387 1.00 43.23 H new ATOM 0 HD11 ILE A 79 17.667 -25.803 11.942 1.00 63.01 H new ATOM 0 HD12 ILE A 79 16.809 -25.082 13.324 1.00 63.01 H new ATOM 0 HD13 ILE A 79 15.935 -25.416 11.810 1.00 63.01 H new ATOM 1174 N SER A 80 14.790 -21.120 9.083 1.00 24.33 N ATOM 1175 CA SER A 80 15.195 -20.343 7.918 1.00 63.12 C ATOM 1176 C SER A 80 14.102 -19.358 7.515 1.00 70.20 C ATOM 1177 O SER A 80 12.922 -19.578 7.787 1.00 31.25 O ATOM 1178 CB SER A 80 15.518 -21.272 6.746 1.00 73.11 C ATOM 1179 OG SER A 80 14.393 -22.059 6.394 1.00 14.32 O ATOM 0 H SER A 80 13.789 -21.097 9.278 1.00 24.33 H new ATOM 0 HA SER A 80 16.089 -19.778 8.182 1.00 63.12 H new ATOM 0 HB2 SER A 80 15.836 -20.682 5.887 1.00 73.11 H new ATOM 0 HB3 SER A 80 16.352 -21.922 7.012 1.00 73.11 H new ATOM 0 HG SER A 80 14.625 -22.643 5.642 1.00 14.32 H new ATOM 1185 N SER A 81 14.504 -18.271 6.864 1.00 30.13 N ATOM 1186 CA SER A 81 13.560 -17.249 6.427 1.00 61.54 C ATOM 1187 C SER A 81 14.208 -16.309 5.415 1.00 72.24 C ATOM 1188 O SER A 81 15.433 -16.227 5.322 1.00 12.31 O ATOM 1189 CB SER A 81 13.048 -16.451 7.627 1.00 54.24 C ATOM 1190 OG SER A 81 11.633 -16.488 7.697 1.00 32.14 O ATOM 0 H SER A 81 15.477 -18.075 6.628 1.00 30.13 H new ATOM 0 HA SER A 81 12.718 -17.748 5.946 1.00 61.54 H new ATOM 0 HB2 SER A 81 13.472 -16.857 8.546 1.00 54.24 H new ATOM 0 HB3 SER A 81 13.385 -15.417 7.551 1.00 54.24 H new ATOM 0 HG SER A 81 11.330 -15.972 8.473 1.00 32.14 H new ATOM 1196 N PHE A 82 13.376 -15.602 4.657 1.00 2.32 N ATOM 1197 CA PHE A 82 13.866 -14.667 3.650 1.00 23.45 C ATOM 1198 C PHE A 82 12.886 -13.515 3.455 1.00 13.20 C ATOM 1199 O PHE A 82 11.675 -13.723 3.372 1.00 1.13 O ATOM 1200 CB PHE A 82 14.093 -15.390 2.321 1.00 41.10 C ATOM 1201 CG PHE A 82 12.821 -15.816 1.646 1.00 70.14 C ATOM 1202 CD1 PHE A 82 11.994 -16.762 2.230 1.00 63.20 C ATOM 1203 CD2 PHE A 82 12.452 -15.270 0.427 1.00 75.31 C ATOM 1204 CE1 PHE A 82 10.824 -17.157 1.610 1.00 13.42 C ATOM 1205 CE2 PHE A 82 11.282 -15.661 -0.197 1.00 53.54 C ATOM 1206 CZ PHE A 82 10.466 -16.604 0.396 1.00 63.33 C ATOM 0 H PHE A 82 12.360 -15.659 4.721 1.00 2.32 H new ATOM 0 HA PHE A 82 14.814 -14.258 4.000 1.00 23.45 H new ATOM 0 HB2 PHE A 82 14.649 -14.735 1.650 1.00 41.10 H new ATOM 0 HB3 PHE A 82 14.714 -16.269 2.496 1.00 41.10 H new ATOM 0 HD1 PHE A 82 12.267 -17.196 3.181 1.00 63.20 H new ATOM 0 HD2 PHE A 82 13.085 -14.531 -0.041 1.00 75.31 H new ATOM 0 HE1 PHE A 82 10.190 -17.898 2.074 1.00 13.42 H new ATOM 0 HE2 PHE A 82 11.006 -15.229 -1.148 1.00 53.54 H new ATOM 0 HZ PHE A 82 9.550 -16.908 -0.088 1.00 63.33 H new ATOM 1216 N ARG A 83 13.418 -12.299 3.383 1.00 73.04 N ATOM 1217 CA ARG A 83 12.590 -11.113 3.199 1.00 44.31 C ATOM 1218 C ARG A 83 12.423 -10.791 1.717 1.00 41.13 C ATOM 1219 O ARG A 83 13.402 -10.556 1.009 1.00 22.11 O ATOM 1220 CB ARG A 83 13.209 -9.916 3.925 1.00 75.41 C ATOM 1221 CG ARG A 83 14.666 -9.674 3.568 1.00 52.22 C ATOM 1222 CD ARG A 83 14.878 -8.273 3.016 1.00 43.31 C ATOM 1223 NE ARG A 83 15.681 -7.447 3.914 1.00 13.40 N ATOM 1224 CZ ARG A 83 15.898 -6.150 3.722 1.00 24.32 C ATOM 1225 NH1 ARG A 83 15.376 -5.536 2.670 1.00 12.41 N ATOM 1226 NH2 ARG A 83 16.640 -5.466 4.584 1.00 33.22 N ATOM 0 H ARG A 83 14.418 -12.109 3.449 1.00 73.04 H new ATOM 0 HA ARG A 83 11.606 -11.318 3.622 1.00 44.31 H new ATOM 0 HB2 ARG A 83 12.633 -9.021 3.689 1.00 75.41 H new ATOM 0 HB3 ARG A 83 13.129 -10.073 5.001 1.00 75.41 H new ATOM 0 HG2 ARG A 83 15.287 -9.816 4.452 1.00 52.22 H new ATOM 0 HG3 ARG A 83 14.988 -10.409 2.831 1.00 52.22 H new ATOM 0 HD2 ARG A 83 15.369 -8.336 2.045 1.00 43.31 H new ATOM 0 HD3 ARG A 83 13.911 -7.797 2.853 1.00 43.31 H new ATOM 0 HE ARG A 83 16.098 -7.890 4.733 1.00 13.40 H new ATOM 0 HH11 ARG A 83 14.806 -6.059 2.005 1.00 12.41 H new ATOM 0 HH12 ARG A 83 15.544 -4.540 2.525 1.00 12.41 H new ATOM 0 HH21 ARG A 83 17.044 -5.936 5.394 1.00 33.22 H new ATOM 0 HH22 ARG A 83 16.806 -4.471 4.436 1.00 33.22 H new ATOM 1240 N GLN A 84 11.177 -10.783 1.255 1.00 13.33 N ATOM 1241 CA GLN A 84 10.882 -10.491 -0.143 1.00 21.04 C ATOM 1242 C GLN A 84 10.742 -8.989 -0.368 1.00 23.14 C ATOM 1243 O GLN A 84 9.690 -8.407 -0.100 1.00 65.13 O ATOM 1244 CB GLN A 84 9.600 -11.205 -0.575 1.00 65.04 C ATOM 1245 CG GLN A 84 9.695 -12.721 -0.506 1.00 44.33 C ATOM 1246 CD GLN A 84 8.601 -13.336 0.344 1.00 42.22 C ATOM 1247 OE1 GLN A 84 7.799 -14.204 -0.261 1.00 12.41 O flip ATOM 1248 NE2 GLN A 84 8.478 -13.034 1.531 1.00 22.42 N flip ATOM 0 H GLN A 84 10.355 -10.975 1.828 1.00 13.33 H new ATOM 0 HA GLN A 84 11.713 -10.854 -0.747 1.00 21.04 H new ATOM 0 HB2 GLN A 84 8.777 -10.872 0.058 1.00 65.04 H new ATOM 0 HB3 GLN A 84 9.356 -10.911 -1.596 1.00 65.04 H new ATOM 0 HG2 GLN A 84 9.640 -13.131 -1.514 1.00 44.33 H new ATOM 0 HG3 GLN A 84 10.667 -13.002 -0.100 1.00 44.33 H new ATOM 0 HE21 GLN A 84 9.117 -12.362 1.955 1.00 22.42 H new ATOM 0 HE22 GLN A 84 7.737 -13.456 2.090 1.00 22.42 H new ATOM 1257 N ILE A 85 11.809 -8.368 -0.860 1.00 13.34 N ATOM 1258 CA ILE A 85 11.804 -6.934 -1.121 1.00 12.32 C ATOM 1259 C ILE A 85 12.002 -6.645 -2.605 1.00 10.42 C ATOM 1260 O ILE A 85 13.127 -6.447 -3.065 1.00 75.11 O ATOM 1261 CB ILE A 85 12.902 -6.211 -0.318 1.00 34.45 C ATOM 1262 CG1 ILE A 85 14.193 -7.031 -0.326 1.00 65.25 C ATOM 1263 CG2 ILE A 85 12.436 -5.962 1.109 1.00 2.43 C ATOM 1264 CD1 ILE A 85 15.443 -6.188 -0.448 1.00 43.12 C ATOM 0 H ILE A 85 12.687 -8.835 -1.086 1.00 13.34 H new ATOM 0 HA ILE A 85 10.830 -6.560 -0.807 1.00 12.32 H new ATOM 0 HB ILE A 85 13.102 -5.248 -0.788 1.00 34.45 H new ATOM 0 HG12 ILE A 85 14.248 -7.617 0.592 1.00 65.25 H new ATOM 0 HG13 ILE A 85 14.159 -7.739 -1.154 1.00 65.25 H new ATOM 0 HG21 ILE A 85 13.222 -5.451 1.664 1.00 2.43 H new ATOM 0 HG22 ILE A 85 11.539 -5.343 1.096 1.00 2.43 H new ATOM 0 HG23 ILE A 85 12.213 -6.914 1.590 1.00 2.43 H new ATOM 0 HD11 ILE A 85 16.320 -6.835 -0.447 1.00 43.12 H new ATOM 0 HD12 ILE A 85 15.411 -5.622 -1.379 1.00 43.12 H new ATOM 0 HD13 ILE A 85 15.500 -5.498 0.394 1.00 43.12 H new TER 1276 ILE A 85