USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 83 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0.0345 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0.303 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 169:sc= 0.324 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.087) USER MOD Single : A 52 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.14) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 54 SER OG : rot -57:sc= 0.18 USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= 0.673 (180deg=-0.0666) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.636 USER MOD Single : A 73 ASN : amide:sc= -2.21 K(o=-2.2,f=-3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.351 (180deg=-1.32!) USER MOD Single : A 84 ASN : amide:sc= -0.0403 X(o=-0.04,f=0.054) USER MOD Single : A 85 THR OG1 : rot -88:sc= 1.22 USER MOD Single : A 86 SER OG : rot -44:sc= 0.0153 USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.811 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.177) USER MOD Single : A 100 ASN : amide:sc= 0.581 K(o=0.58,f=-0.042) USER MOD Single : A 103 ASN : amide:sc= -1.44! C(o=-1.4!,f=-10!) USER MOD Single : A 105 MET CE :methyl -163:sc= -0.105 (180deg=-0.546) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 112 LYS NZ :NH3+ 152:sc= 1.27 (180deg=0.885) USER MOD Single : A 117 ASN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.09) USER MOD Single : A 121 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.9!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -7.174 -18.625 -14.339 1.00 10.99 N ATOM 2 CA ALA A 49 -8.564 -18.169 -14.129 1.00 10.59 C ATOM 3 C ALA A 49 -8.590 -16.673 -13.831 1.00 10.09 C ATOM 4 O ALA A 49 -8.757 -15.856 -14.737 1.00 10.24 O ATOM 5 CB ALA A 49 -9.227 -18.955 -13.004 1.00 10.72 C ATOM 0 HA ALA A 49 -9.129 -18.350 -15.044 1.00 10.59 H new ATOM 0 HB1 ALA A 49 -10.249 -18.602 -12.867 1.00 10.72 H new ATOM 0 HB2 ALA A 49 -9.240 -20.015 -13.259 1.00 10.72 H new ATOM 0 HB3 ALA A 49 -8.667 -18.811 -12.080 1.00 10.72 H new ATOM 13 N ASN A 50 -8.390 -16.316 -12.567 1.00 9.73 N ATOM 14 CA ASN A 50 -8.388 -14.914 -12.162 1.00 9.49 C ATOM 15 C ASN A 50 -7.078 -14.250 -12.553 1.00 9.07 C ATOM 16 O ASN A 50 -6.053 -14.433 -11.895 1.00 9.09 O ATOM 17 CB ASN A 50 -8.608 -14.775 -10.654 1.00 9.92 C ATOM 18 CG ASN A 50 -9.985 -15.230 -10.217 1.00 10.26 C ATOM 19 OD1 ASN A 50 -10.192 -16.399 -9.898 1.00 10.37 O ATOM 20 ND2 ASN A 50 -10.937 -14.307 -10.185 1.00 10.66 N ATOM 0 H ASN A 50 -8.227 -16.976 -11.806 1.00 9.73 H new ATOM 0 HA ASN A 50 -9.210 -14.418 -12.679 1.00 9.49 H new ATOM 0 HB2 ASN A 50 -7.853 -15.358 -10.126 1.00 9.92 H new ATOM 0 HB3 ASN A 50 -8.466 -13.734 -10.365 1.00 9.92 H new ATOM 0 HD21 ASN A 50 -11.880 -14.557 -9.888 1.00 10.66 H new ATOM 0 HD22 ASN A 50 -10.726 -13.347 -10.457 1.00 10.66 H new ATOM 27 N GLN A 51 -7.111 -13.494 -13.636 1.00 8.96 N ATOM 28 CA GLN A 51 -5.937 -12.777 -14.106 1.00 8.86 C ATOM 29 C GLN A 51 -5.900 -11.387 -13.492 1.00 8.35 C ATOM 30 O GLN A 51 -4.830 -10.840 -13.224 1.00 8.67 O ATOM 31 CB GLN A 51 -5.940 -12.691 -15.632 1.00 9.29 C ATOM 32 CG GLN A 51 -5.905 -14.047 -16.314 1.00 9.73 C ATOM 33 CD GLN A 51 -4.623 -14.811 -16.032 1.00 10.28 C ATOM 34 OE1 GLN A 51 -3.653 -14.712 -16.781 1.00 10.58 O ATOM 35 NE2 GLN A 51 -4.607 -15.572 -14.948 1.00 10.65 N ATOM 0 H GLN A 51 -7.943 -13.360 -14.210 1.00 8.96 H new ATOM 0 HA GLN A 51 -5.044 -13.320 -13.798 1.00 8.86 H new ATOM 0 HB2 GLN A 51 -6.831 -12.153 -15.956 1.00 9.29 H new ATOM 0 HB3 GLN A 51 -5.079 -12.107 -15.957 1.00 9.29 H new ATOM 0 HG2 GLN A 51 -6.757 -14.639 -15.980 1.00 9.73 H new ATOM 0 HG3 GLN A 51 -6.013 -13.911 -17.390 1.00 9.73 H new ATOM 0 HE21 GLN A 51 -5.433 -15.628 -14.352 1.00 10.65 H new ATOM 0 HE22 GLN A 51 -3.769 -16.102 -14.710 1.00 10.65 H new ATOM 44 N GLN A 52 -7.080 -10.830 -13.256 1.00 7.81 N ATOM 45 CA GLN A 52 -7.196 -9.535 -12.612 1.00 7.53 C ATOM 46 C GLN A 52 -8.079 -9.650 -11.372 1.00 6.60 C ATOM 47 O GLN A 52 -9.305 -9.571 -11.457 1.00 6.71 O ATOM 48 CB GLN A 52 -7.773 -8.500 -13.582 1.00 8.12 C ATOM 49 CG GLN A 52 -7.714 -7.073 -13.062 1.00 8.64 C ATOM 50 CD GLN A 52 -6.294 -6.582 -12.871 1.00 9.29 C ATOM 51 OE1 GLN A 52 -5.690 -6.026 -13.787 1.00 9.82 O ATOM 52 NE2 GLN A 52 -5.755 -6.774 -11.680 1.00 9.51 N ATOM 0 H GLN A 52 -7.972 -11.259 -13.503 1.00 7.81 H new ATOM 0 HA GLN A 52 -6.202 -9.203 -12.311 1.00 7.53 H new ATOM 0 HB2 GLN A 52 -7.229 -8.556 -14.525 1.00 8.12 H new ATOM 0 HB3 GLN A 52 -8.810 -8.756 -13.797 1.00 8.12 H new ATOM 0 HG2 GLN A 52 -8.232 -6.414 -13.759 1.00 8.64 H new ATOM 0 HG3 GLN A 52 -8.246 -7.014 -12.113 1.00 8.64 H new ATOM 0 HE21 GLN A 52 -6.290 -7.240 -10.947 1.00 9.51 H new ATOM 0 HE22 GLN A 52 -4.804 -6.457 -11.494 1.00 9.51 H new ATOM 61 N THR A 53 -7.457 -9.856 -10.223 1.00 5.98 N ATOM 62 CA THR A 53 -8.189 -9.977 -8.975 1.00 5.23 C ATOM 63 C THR A 53 -8.295 -8.619 -8.284 1.00 4.28 C ATOM 64 O THR A 53 -7.420 -8.232 -7.512 1.00 4.32 O ATOM 65 CB THR A 53 -7.510 -10.990 -8.031 1.00 5.71 C ATOM 66 OG1 THR A 53 -7.345 -12.252 -8.697 1.00 6.51 O ATOM 67 CG2 THR A 53 -8.329 -11.190 -6.764 1.00 5.97 C ATOM 0 H THR A 53 -6.445 -9.943 -10.129 1.00 5.98 H new ATOM 0 HA THR A 53 -9.190 -10.338 -9.210 1.00 5.23 H new ATOM 0 HB THR A 53 -6.534 -10.591 -7.756 1.00 5.71 H new ATOM 0 HG1 THR A 53 -6.912 -12.888 -8.090 1.00 6.51 H new ATOM 0 HG21 THR A 53 -7.827 -11.909 -6.116 1.00 5.97 H new ATOM 0 HG22 THR A 53 -8.429 -10.239 -6.241 1.00 5.97 H new ATOM 0 HG23 THR A 53 -9.318 -11.566 -7.026 1.00 5.97 H new ATOM 75 N SER A 54 -9.367 -7.895 -8.578 1.00 3.92 N ATOM 76 CA SER A 54 -9.589 -6.580 -7.991 1.00 3.46 C ATOM 77 C SER A 54 -10.268 -6.716 -6.626 1.00 2.50 C ATOM 78 O SER A 54 -11.372 -6.210 -6.404 1.00 2.81 O ATOM 79 CB SER A 54 -10.433 -5.722 -8.943 1.00 4.27 C ATOM 80 OG SER A 54 -10.616 -4.408 -8.443 1.00 4.83 O ATOM 0 H SER A 54 -10.098 -8.197 -9.221 1.00 3.92 H new ATOM 0 HA SER A 54 -8.629 -6.087 -7.841 1.00 3.46 H new ATOM 0 HB2 SER A 54 -9.948 -5.676 -9.918 1.00 4.27 H new ATOM 0 HB3 SER A 54 -11.405 -6.193 -9.092 1.00 4.27 H new ATOM 0 HG SER A 54 -11.031 -4.450 -7.556 1.00 4.83 H new ATOM 86 N GLY A 55 -9.605 -7.421 -5.728 1.00 1.89 N ATOM 87 CA GLY A 55 -10.104 -7.586 -4.382 1.00 1.43 C ATOM 88 C GLY A 55 -8.975 -7.566 -3.383 1.00 1.16 C ATOM 89 O GLY A 55 -8.432 -6.508 -3.085 1.00 1.28 O ATOM 0 H GLY A 55 -8.717 -7.889 -5.911 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -10.812 -6.790 -4.152 1.00 1.43 H new ATOM 0 HA3 GLY A 55 -10.647 -8.528 -4.304 1.00 1.43 H new ATOM 93 N LYS A 56 -8.614 -8.734 -2.877 1.00 0.98 N ATOM 94 CA LYS A 56 -7.446 -8.866 -2.029 1.00 0.77 C ATOM 95 C LYS A 56 -6.220 -9.175 -2.877 1.00 0.71 C ATOM 96 O LYS A 56 -6.265 -10.012 -3.779 1.00 0.78 O ATOM 97 CB LYS A 56 -7.668 -9.954 -0.977 1.00 0.83 C ATOM 98 CG LYS A 56 -8.365 -9.453 0.277 1.00 0.96 C ATOM 99 CD LYS A 56 -9.635 -8.680 -0.027 1.00 1.29 C ATOM 100 CE LYS A 56 -10.270 -8.149 1.246 1.00 1.31 C ATOM 101 NZ LYS A 56 -11.239 -7.063 0.963 1.00 1.99 N ATOM 0 H LYS A 56 -9.117 -9.606 -3.041 1.00 0.98 H new ATOM 0 HA LYS A 56 -7.279 -7.923 -1.509 1.00 0.77 H new ATOM 0 HB2 LYS A 56 -8.260 -10.757 -1.416 1.00 0.83 H new ATOM 0 HB3 LYS A 56 -6.705 -10.383 -0.701 1.00 0.83 H new ATOM 0 HG2 LYS A 56 -8.606 -10.302 0.917 1.00 0.96 H new ATOM 0 HG3 LYS A 56 -7.682 -8.815 0.837 1.00 0.96 H new ATOM 0 HD2 LYS A 56 -9.408 -7.851 -0.697 1.00 1.29 H new ATOM 0 HD3 LYS A 56 -10.342 -9.326 -0.548 1.00 1.29 H new ATOM 0 HE2 LYS A 56 -10.776 -8.962 1.767 1.00 1.31 H new ATOM 0 HE3 LYS A 56 -9.492 -7.778 1.914 1.00 1.31 H new ATOM 0 HZ1 LYS A 56 -10.834 -6.151 1.255 1.00 1.99 H new ATOM 0 HZ2 LYS A 56 -11.446 -7.039 -0.056 1.00 1.99 H new ATOM 0 HZ3 LYS A 56 -12.118 -7.236 1.491 1.00 1.99 H new ATOM 115 N VAL A 57 -5.132 -8.492 -2.572 1.00 0.65 N ATOM 116 CA VAL A 57 -3.919 -8.572 -3.366 1.00 0.65 C ATOM 117 C VAL A 57 -2.975 -9.627 -2.811 1.00 0.69 C ATOM 118 O VAL A 57 -2.686 -9.650 -1.614 1.00 0.68 O ATOM 119 CB VAL A 57 -3.181 -7.221 -3.376 1.00 0.57 C ATOM 120 CG1 VAL A 57 -2.083 -7.208 -4.428 1.00 0.61 C ATOM 121 CG2 VAL A 57 -4.152 -6.070 -3.582 1.00 0.56 C ATOM 0 H VAL A 57 -5.064 -7.867 -1.769 1.00 0.65 H new ATOM 0 HA VAL A 57 -4.216 -8.840 -4.380 1.00 0.65 H new ATOM 0 HB VAL A 57 -2.711 -7.088 -2.402 1.00 0.57 H new ATOM 0 HG11 VAL A 57 -1.577 -6.242 -4.414 1.00 0.61 H new ATOM 0 HG12 VAL A 57 -1.363 -7.998 -4.212 1.00 0.61 H new ATOM 0 HG13 VAL A 57 -2.520 -7.374 -5.412 1.00 0.61 H new ATOM 0 HG21 VAL A 57 -3.604 -5.128 -3.585 1.00 0.56 H new ATOM 0 HG22 VAL A 57 -4.666 -6.194 -4.535 1.00 0.56 H new ATOM 0 HG23 VAL A 57 -4.883 -6.062 -2.774 1.00 0.56 H new ATOM 131 N LEU A 58 -2.496 -10.493 -3.688 1.00 0.80 N ATOM 132 CA LEU A 58 -1.519 -11.495 -3.310 1.00 0.86 C ATOM 133 C LEU A 58 -0.114 -10.976 -3.594 1.00 0.85 C ATOM 134 O LEU A 58 0.249 -10.749 -4.749 1.00 0.93 O ATOM 135 CB LEU A 58 -1.761 -12.795 -4.080 1.00 1.02 C ATOM 136 CG LEU A 58 -0.844 -13.953 -3.697 1.00 1.10 C ATOM 137 CD1 LEU A 58 -1.305 -14.560 -2.387 1.00 1.08 C ATOM 138 CD2 LEU A 58 -0.808 -15.004 -4.796 1.00 1.27 C ATOM 0 H LEU A 58 -2.770 -10.521 -4.670 1.00 0.80 H new ATOM 0 HA LEU A 58 -1.619 -11.699 -2.244 1.00 0.86 H new ATOM 0 HB2 LEU A 58 -2.795 -13.104 -3.925 1.00 1.02 H new ATOM 0 HB3 LEU A 58 -1.644 -12.596 -5.145 1.00 1.02 H new ATOM 0 HG LEU A 58 0.169 -13.571 -3.572 1.00 1.10 H new ATOM 0 HD11 LEU A 58 -0.647 -15.386 -2.118 1.00 1.08 H new ATOM 0 HD12 LEU A 58 -1.275 -13.802 -1.604 1.00 1.08 H new ATOM 0 HD13 LEU A 58 -2.325 -14.929 -2.496 1.00 1.08 H new ATOM 0 HD21 LEU A 58 -0.148 -15.819 -4.499 1.00 1.27 H new ATOM 0 HD22 LEU A 58 -1.813 -15.393 -4.960 1.00 1.27 H new ATOM 0 HD23 LEU A 58 -0.438 -14.554 -5.717 1.00 1.27 H new ATOM 150 N TYR A 59 0.664 -10.770 -2.545 1.00 0.81 N ATOM 151 CA TYR A 59 2.035 -10.317 -2.703 1.00 0.83 C ATOM 152 C TYR A 59 2.995 -11.367 -2.129 1.00 0.90 C ATOM 153 O TYR A 59 2.991 -11.651 -0.928 1.00 0.87 O ATOM 154 CB TYR A 59 2.233 -8.927 -2.056 1.00 0.73 C ATOM 155 CG TYR A 59 2.527 -8.947 -0.572 1.00 0.67 C ATOM 156 CD1 TYR A 59 1.543 -9.249 0.358 1.00 0.63 C ATOM 157 CD2 TYR A 59 3.808 -8.686 -0.109 1.00 0.72 C ATOM 158 CE1 TYR A 59 1.830 -9.293 1.707 1.00 0.66 C ATOM 159 CE2 TYR A 59 4.104 -8.722 1.239 1.00 0.73 C ATOM 160 CZ TYR A 59 3.112 -9.028 2.144 1.00 0.71 C ATOM 161 OH TYR A 59 3.402 -9.082 3.489 1.00 0.79 O ATOM 0 H TYR A 59 0.371 -10.909 -1.578 1.00 0.81 H new ATOM 0 HA TYR A 59 2.259 -10.203 -3.764 1.00 0.83 H new ATOM 0 HB2 TYR A 59 3.051 -8.419 -2.566 1.00 0.73 H new ATOM 0 HB3 TYR A 59 1.335 -8.333 -2.225 1.00 0.73 H new ATOM 0 HD1 TYR A 59 0.537 -9.453 0.021 1.00 0.63 H new ATOM 0 HD2 TYR A 59 4.589 -8.450 -0.817 1.00 0.72 H new ATOM 0 HE1 TYR A 59 1.054 -9.534 2.418 1.00 0.66 H new ATOM 0 HE2 TYR A 59 5.106 -8.512 1.581 1.00 0.73 H new ATOM 0 HH TYR A 59 4.349 -8.871 3.628 1.00 0.79 H new ATOM 171 N GLU A 60 3.755 -11.998 -3.023 1.00 1.03 N ATOM 172 CA GLU A 60 4.766 -12.997 -2.654 1.00 1.14 C ATOM 173 C GLU A 60 4.193 -14.119 -1.797 1.00 1.16 C ATOM 174 O GLU A 60 4.910 -14.775 -1.040 1.00 1.25 O ATOM 175 CB GLU A 60 5.928 -12.325 -1.945 1.00 1.15 C ATOM 176 CG GLU A 60 6.565 -11.246 -2.787 1.00 1.21 C ATOM 177 CD GLU A 60 7.206 -11.792 -4.047 1.00 2.02 C ATOM 178 OE1 GLU A 60 6.514 -11.879 -5.084 1.00 3.04 O ATOM 179 OE2 GLU A 60 8.402 -12.134 -4.016 1.00 1.94 O ATOM 0 H GLU A 60 3.689 -11.833 -4.027 1.00 1.03 H new ATOM 0 HA GLU A 60 5.121 -13.456 -3.577 1.00 1.14 H new ATOM 0 HB2 GLU A 60 5.578 -11.892 -1.008 1.00 1.15 H new ATOM 0 HB3 GLU A 60 6.678 -13.074 -1.690 1.00 1.15 H new ATOM 0 HG2 GLU A 60 5.810 -10.509 -3.058 1.00 1.21 H new ATOM 0 HG3 GLU A 60 7.319 -10.727 -2.196 1.00 1.21 H new ATOM 186 N GLY A 61 2.898 -14.318 -1.915 1.00 1.11 N ATOM 187 CA GLY A 61 2.253 -15.427 -1.240 1.00 1.17 C ATOM 188 C GLY A 61 1.263 -14.990 -0.176 1.00 1.11 C ATOM 189 O GLY A 61 0.365 -15.753 0.182 1.00 1.23 O ATOM 0 H GLY A 61 2.273 -13.731 -2.468 1.00 1.11 H new ATOM 0 HA2 GLY A 61 1.736 -16.040 -1.978 1.00 1.17 H new ATOM 0 HA3 GLY A 61 3.015 -16.056 -0.780 1.00 1.17 H new ATOM 193 N LYS A 62 1.411 -13.774 0.336 1.00 0.99 N ATOM 194 CA LYS A 62 0.505 -13.284 1.366 1.00 0.94 C ATOM 195 C LYS A 62 -0.603 -12.454 0.730 1.00 0.86 C ATOM 196 O LYS A 62 -0.401 -11.826 -0.306 1.00 0.80 O ATOM 197 CB LYS A 62 1.249 -12.441 2.403 1.00 0.87 C ATOM 198 CG LYS A 62 0.491 -12.270 3.711 1.00 0.89 C ATOM 199 CD LYS A 62 1.178 -11.289 4.648 1.00 0.91 C ATOM 200 CE LYS A 62 2.563 -11.761 5.057 1.00 1.15 C ATOM 201 NZ LYS A 62 3.236 -10.776 5.944 1.00 1.52 N ATOM 0 H LYS A 62 2.140 -13.117 0.059 1.00 0.99 H new ATOM 0 HA LYS A 62 0.072 -14.146 1.873 1.00 0.94 H new ATOM 0 HB2 LYS A 62 2.214 -12.904 2.610 1.00 0.87 H new ATOM 0 HB3 LYS A 62 1.452 -11.457 1.980 1.00 0.87 H new ATOM 0 HG2 LYS A 62 -0.520 -11.921 3.500 1.00 0.89 H new ATOM 0 HG3 LYS A 62 0.398 -13.237 4.205 1.00 0.89 H new ATOM 0 HD2 LYS A 62 1.256 -10.317 4.160 1.00 0.91 H new ATOM 0 HD3 LYS A 62 0.565 -11.150 5.539 1.00 0.91 H new ATOM 0 HE2 LYS A 62 2.485 -12.720 5.570 1.00 1.15 H new ATOM 0 HE3 LYS A 62 3.170 -11.924 4.167 1.00 1.15 H new ATOM 0 HZ1 LYS A 62 4.091 -11.204 6.353 1.00 1.52 H new ATOM 0 HZ2 LYS A 62 3.500 -9.935 5.392 1.00 1.52 H new ATOM 0 HZ3 LYS A 62 2.588 -10.499 6.709 1.00 1.52 H new ATOM 215 N GLU A 63 -1.767 -12.450 1.357 1.00 0.88 N ATOM 216 CA GLU A 63 -2.910 -11.714 0.840 1.00 0.82 C ATOM 217 C GLU A 63 -3.251 -10.525 1.723 1.00 0.70 C ATOM 218 O GLU A 63 -3.434 -10.659 2.936 1.00 0.74 O ATOM 219 CB GLU A 63 -4.127 -12.626 0.705 1.00 0.98 C ATOM 220 CG GLU A 63 -4.061 -13.553 -0.492 1.00 1.11 C ATOM 221 CD GLU A 63 -5.327 -14.362 -0.666 1.00 1.37 C ATOM 222 OE1 GLU A 63 -6.409 -13.758 -0.822 1.00 1.59 O ATOM 223 OE2 GLU A 63 -5.243 -15.609 -0.655 1.00 1.49 O ATOM 0 H GLU A 63 -1.946 -12.950 2.228 1.00 0.88 H new ATOM 0 HA GLU A 63 -2.636 -11.341 -0.147 1.00 0.82 H new ATOM 0 HB2 GLU A 63 -4.225 -13.223 1.611 1.00 0.98 H new ATOM 0 HB3 GLU A 63 -5.024 -12.012 0.629 1.00 0.98 H new ATOM 0 HG2 GLU A 63 -3.881 -12.966 -1.393 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -3.214 -14.229 -0.378 1.00 1.11 H new ATOM 230 N PHE A 64 -3.334 -9.364 1.102 1.00 0.59 N ATOM 231 CA PHE A 64 -3.705 -8.139 1.790 1.00 0.49 C ATOM 232 C PHE A 64 -4.884 -7.484 1.100 1.00 0.47 C ATOM 233 O PHE A 64 -5.289 -7.920 0.030 1.00 0.54 O ATOM 234 CB PHE A 64 -2.528 -7.164 1.837 1.00 0.39 C ATOM 235 CG PHE A 64 -1.863 -7.102 3.183 1.00 0.43 C ATOM 236 CD1 PHE A 64 -2.358 -6.276 4.179 1.00 0.53 C ATOM 237 CD2 PHE A 64 -0.746 -7.873 3.451 1.00 0.46 C ATOM 238 CE1 PHE A 64 -1.750 -6.224 5.419 1.00 0.63 C ATOM 239 CE2 PHE A 64 -0.131 -7.824 4.687 1.00 0.56 C ATOM 240 CZ PHE A 64 -0.633 -6.999 5.673 1.00 0.64 C ATOM 0 H PHE A 64 -3.147 -9.242 0.107 1.00 0.59 H new ATOM 0 HA PHE A 64 -3.986 -8.397 2.811 1.00 0.49 H new ATOM 0 HB2 PHE A 64 -1.792 -7.457 1.089 1.00 0.39 H new ATOM 0 HB3 PHE A 64 -2.879 -6.168 1.566 1.00 0.39 H new ATOM 0 HD1 PHE A 64 -3.228 -5.666 3.984 1.00 0.53 H new ATOM 0 HD2 PHE A 64 -0.350 -8.522 2.684 1.00 0.46 H new ATOM 0 HE1 PHE A 64 -2.147 -5.579 6.189 1.00 0.63 H new ATOM 0 HE2 PHE A 64 0.741 -8.430 4.881 1.00 0.56 H new ATOM 0 HZ PHE A 64 -0.155 -6.959 6.641 1.00 0.64 H new ATOM 250 N ASP A 65 -5.433 -6.449 1.716 1.00 0.42 N ATOM 251 CA ASP A 65 -6.547 -5.712 1.122 1.00 0.42 C ATOM 252 C ASP A 65 -6.123 -5.115 -0.207 1.00 0.39 C ATOM 253 O ASP A 65 -6.513 -5.587 -1.269 1.00 0.45 O ATOM 254 CB ASP A 65 -7.017 -4.575 2.036 1.00 0.43 C ATOM 255 CG ASP A 65 -8.332 -4.851 2.733 1.00 0.66 C ATOM 256 OD1 ASP A 65 -9.306 -5.247 2.058 1.00 1.23 O ATOM 257 OD2 ASP A 65 -8.411 -4.617 3.959 1.00 1.04 O ATOM 0 H ASP A 65 -5.130 -6.098 2.624 1.00 0.42 H new ATOM 0 HA ASP A 65 -7.367 -6.416 0.980 1.00 0.42 H new ATOM 0 HB2 ASP A 65 -6.251 -4.387 2.788 1.00 0.43 H new ATOM 0 HB3 ASP A 65 -7.114 -3.664 1.445 1.00 0.43 H new ATOM 262 N TYR A 66 -5.291 -4.091 -0.128 1.00 0.33 N ATOM 263 CA TYR A 66 -4.835 -3.379 -1.308 1.00 0.33 C ATOM 264 C TYR A 66 -3.366 -3.023 -1.174 1.00 0.30 C ATOM 265 O TYR A 66 -3.015 -2.070 -0.488 1.00 0.28 O ATOM 266 CB TYR A 66 -5.660 -2.105 -1.510 1.00 0.36 C ATOM 267 CG TYR A 66 -7.116 -2.369 -1.812 1.00 0.44 C ATOM 268 CD1 TYR A 66 -7.533 -2.691 -3.098 1.00 0.61 C ATOM 269 CD2 TYR A 66 -8.075 -2.309 -0.808 1.00 0.49 C ATOM 270 CE1 TYR A 66 -8.861 -2.947 -3.374 1.00 0.75 C ATOM 271 CE2 TYR A 66 -9.408 -2.561 -1.078 1.00 0.64 C ATOM 272 CZ TYR A 66 -9.794 -2.879 -2.363 1.00 0.74 C ATOM 273 OH TYR A 66 -11.119 -3.139 -2.638 1.00 0.92 O ATOM 0 H TYR A 66 -4.915 -3.732 0.750 1.00 0.33 H new ATOM 0 HA TYR A 66 -4.965 -4.028 -2.174 1.00 0.33 H new ATOM 0 HB2 TYR A 66 -5.589 -1.490 -0.613 1.00 0.36 H new ATOM 0 HB3 TYR A 66 -5.227 -1.527 -2.327 1.00 0.36 H new ATOM 0 HD1 TYR A 66 -6.806 -2.742 -3.895 1.00 0.61 H new ATOM 0 HD2 TYR A 66 -7.775 -2.062 0.199 1.00 0.49 H new ATOM 0 HE1 TYR A 66 -9.167 -3.200 -4.378 1.00 0.75 H new ATOM 0 HE2 TYR A 66 -10.142 -2.509 -0.287 1.00 0.64 H new ATOM 0 HH TYR A 66 -11.647 -3.050 -1.817 1.00 0.92 H new ATOM 283 N VAL A 67 -2.499 -3.797 -1.807 1.00 0.33 N ATOM 284 CA VAL A 67 -1.082 -3.490 -1.787 1.00 0.31 C ATOM 285 C VAL A 67 -0.765 -2.525 -2.928 1.00 0.33 C ATOM 286 O VAL A 67 -1.294 -2.657 -4.036 1.00 0.41 O ATOM 287 CB VAL A 67 -0.190 -4.763 -1.847 1.00 0.33 C ATOM 288 CG1 VAL A 67 -0.904 -5.937 -1.191 1.00 0.36 C ATOM 289 CG2 VAL A 67 0.251 -5.113 -3.261 1.00 0.41 C ATOM 0 H VAL A 67 -2.750 -4.633 -2.335 1.00 0.33 H new ATOM 0 HA VAL A 67 -0.848 -3.015 -0.834 1.00 0.31 H new ATOM 0 HB VAL A 67 0.721 -4.542 -1.291 1.00 0.33 H new ATOM 0 HG11 VAL A 67 -0.269 -6.822 -1.239 1.00 0.36 H new ATOM 0 HG12 VAL A 67 -1.115 -5.698 -0.149 1.00 0.36 H new ATOM 0 HG13 VAL A 67 -1.840 -6.132 -1.715 1.00 0.36 H new ATOM 0 HG21 VAL A 67 0.870 -6.010 -3.238 1.00 0.41 H new ATOM 0 HG22 VAL A 67 -0.627 -5.294 -3.882 1.00 0.41 H new ATOM 0 HG23 VAL A 67 0.826 -4.286 -3.678 1.00 0.41 H new ATOM 299 N PHE A 68 0.059 -1.535 -2.640 1.00 0.28 N ATOM 300 CA PHE A 68 0.405 -0.510 -3.611 1.00 0.30 C ATOM 301 C PHE A 68 1.639 -0.932 -4.391 1.00 0.27 C ATOM 302 O PHE A 68 2.469 -1.674 -3.886 1.00 0.24 O ATOM 303 CB PHE A 68 0.665 0.818 -2.894 1.00 0.30 C ATOM 304 CG PHE A 68 0.965 1.963 -3.821 1.00 0.35 C ATOM 305 CD1 PHE A 68 0.219 2.161 -4.971 1.00 0.41 C ATOM 306 CD2 PHE A 68 2.000 2.836 -3.544 1.00 0.37 C ATOM 307 CE1 PHE A 68 0.502 3.210 -5.826 1.00 0.46 C ATOM 308 CE2 PHE A 68 2.288 3.888 -4.392 1.00 0.44 C ATOM 309 CZ PHE A 68 1.539 4.074 -5.535 1.00 0.48 C ATOM 0 H PHE A 68 0.506 -1.417 -1.731 1.00 0.28 H new ATOM 0 HA PHE A 68 -0.425 -0.381 -4.306 1.00 0.30 H new ATOM 0 HB2 PHE A 68 -0.207 1.071 -2.291 1.00 0.30 H new ATOM 0 HB3 PHE A 68 1.502 0.691 -2.207 1.00 0.30 H new ATOM 0 HD1 PHE A 68 -0.593 1.488 -5.203 1.00 0.41 H new ATOM 0 HD2 PHE A 68 2.592 2.694 -2.652 1.00 0.37 H new ATOM 0 HE1 PHE A 68 -0.087 3.353 -6.720 1.00 0.46 H new ATOM 0 HE2 PHE A 68 3.098 4.563 -4.160 1.00 0.44 H new ATOM 0 HZ PHE A 68 1.763 4.894 -6.201 1.00 0.48 H new ATOM 319 N SER A 69 1.751 -0.472 -5.620 1.00 0.32 N ATOM 320 CA SER A 69 2.887 -0.815 -6.443 1.00 0.32 C ATOM 321 C SER A 69 3.869 0.349 -6.490 1.00 0.36 C ATOM 322 O SER A 69 3.548 1.439 -6.967 1.00 0.44 O ATOM 323 CB SER A 69 2.407 -1.184 -7.842 1.00 0.42 C ATOM 324 OG SER A 69 1.285 -2.050 -7.784 1.00 1.38 O ATOM 0 H SER A 69 1.069 0.140 -6.069 1.00 0.32 H new ATOM 0 HA SER A 69 3.404 -1.674 -6.015 1.00 0.32 H new ATOM 0 HB2 SER A 69 2.144 -0.279 -8.390 1.00 0.42 H new ATOM 0 HB3 SER A 69 3.215 -1.667 -8.392 1.00 0.42 H new ATOM 0 HG SER A 69 0.995 -2.271 -8.694 1.00 1.38 H new ATOM 330 N ILE A 70 5.061 0.101 -5.982 1.00 0.34 N ATOM 331 CA ILE A 70 6.089 1.116 -5.888 1.00 0.43 C ATOM 332 C ILE A 70 7.017 1.054 -7.089 1.00 0.45 C ATOM 333 O ILE A 70 7.673 0.034 -7.325 1.00 0.43 O ATOM 334 CB ILE A 70 6.919 0.936 -4.608 1.00 0.48 C ATOM 335 CG1 ILE A 70 6.012 1.048 -3.391 1.00 0.52 C ATOM 336 CG2 ILE A 70 8.042 1.963 -4.530 1.00 0.64 C ATOM 337 CD1 ILE A 70 5.264 2.361 -3.311 1.00 0.51 C ATOM 0 H ILE A 70 5.343 -0.811 -5.623 1.00 0.34 H new ATOM 0 HA ILE A 70 5.591 2.085 -5.863 1.00 0.43 H new ATOM 0 HB ILE A 70 7.376 -0.053 -4.628 1.00 0.48 H new ATOM 0 HG12 ILE A 70 5.292 0.230 -3.409 1.00 0.52 H new ATOM 0 HG13 ILE A 70 6.612 0.926 -2.489 1.00 0.52 H new ATOM 0 HG21 ILE A 70 8.612 1.810 -3.613 1.00 0.64 H new ATOM 0 HG22 ILE A 70 8.701 1.847 -5.390 1.00 0.64 H new ATOM 0 HG23 ILE A 70 7.618 2.967 -4.530 1.00 0.64 H new ATOM 0 HD11 ILE A 70 4.638 2.369 -2.419 1.00 0.51 H new ATOM 0 HD12 ILE A 70 5.977 3.184 -3.261 1.00 0.51 H new ATOM 0 HD13 ILE A 70 4.637 2.477 -4.195 1.00 0.51 H new ATOM 349 N ASP A 71 7.072 2.142 -7.839 1.00 0.60 N ATOM 350 CA ASP A 71 7.985 2.245 -8.960 1.00 0.75 C ATOM 351 C ASP A 71 9.206 3.044 -8.535 1.00 0.76 C ATOM 352 O ASP A 71 9.085 4.094 -7.905 1.00 0.87 O ATOM 353 CB ASP A 71 7.305 2.899 -10.169 1.00 1.02 C ATOM 354 CG ASP A 71 6.948 4.356 -9.939 1.00 1.89 C ATOM 355 OD1 ASP A 71 6.060 4.630 -9.103 1.00 2.51 O ATOM 356 OD2 ASP A 71 7.551 5.232 -10.596 1.00 2.58 O ATOM 0 H ASP A 71 6.492 2.968 -7.689 1.00 0.60 H new ATOM 0 HA ASP A 71 8.292 1.243 -9.261 1.00 0.75 H new ATOM 0 HB2 ASP A 71 7.966 2.826 -11.033 1.00 1.02 H new ATOM 0 HB3 ASP A 71 6.399 2.344 -10.412 1.00 1.02 H new ATOM 361 N VAL A 72 10.378 2.524 -8.844 1.00 0.87 N ATOM 362 CA VAL A 72 11.619 3.174 -8.462 1.00 0.97 C ATOM 363 C VAL A 72 12.740 2.791 -9.428 1.00 1.04 C ATOM 364 O VAL A 72 13.465 3.655 -9.924 1.00 1.14 O ATOM 365 CB VAL A 72 12.003 2.841 -6.994 1.00 1.08 C ATOM 366 CG1 VAL A 72 12.137 1.342 -6.785 1.00 1.20 C ATOM 367 CG2 VAL A 72 13.280 3.564 -6.593 1.00 1.37 C ATOM 0 H VAL A 72 10.498 1.652 -9.359 1.00 0.87 H new ATOM 0 HA VAL A 72 11.470 4.252 -8.521 1.00 0.97 H new ATOM 0 HB VAL A 72 11.197 3.193 -6.350 1.00 1.08 H new ATOM 0 HG11 VAL A 72 12.406 1.142 -5.748 1.00 1.20 H new ATOM 0 HG12 VAL A 72 11.188 0.857 -7.014 1.00 1.20 H new ATOM 0 HG13 VAL A 72 12.913 0.951 -7.443 1.00 1.20 H new ATOM 0 HG21 VAL A 72 13.530 3.316 -5.561 1.00 1.37 H new ATOM 0 HG22 VAL A 72 14.094 3.254 -7.248 1.00 1.37 H new ATOM 0 HG23 VAL A 72 13.132 4.640 -6.682 1.00 1.37 H new ATOM 377 N ASN A 73 12.885 1.500 -9.686 1.00 1.12 N ATOM 378 CA ASN A 73 13.818 1.032 -10.695 1.00 1.26 C ATOM 379 C ASN A 73 13.060 0.338 -11.812 1.00 1.27 C ATOM 380 O ASN A 73 12.536 -0.760 -11.627 1.00 1.30 O ATOM 381 CB ASN A 73 14.848 0.085 -10.076 1.00 1.47 C ATOM 382 CG ASN A 73 15.929 -0.334 -11.059 1.00 2.10 C ATOM 383 OD1 ASN A 73 16.448 -1.447 -10.988 1.00 2.80 O ATOM 384 ND2 ASN A 73 16.302 0.563 -11.959 1.00 2.72 N ATOM 0 H ASN A 73 12.369 0.760 -9.210 1.00 1.12 H new ATOM 0 HA ASN A 73 14.351 1.888 -11.108 1.00 1.26 H new ATOM 0 HB2 ASN A 73 15.312 0.571 -9.218 1.00 1.47 H new ATOM 0 HB3 ASN A 73 14.339 -0.804 -9.702 1.00 1.47 H new ATOM 0 HD21 ASN A 73 17.043 0.341 -12.624 1.00 2.72 H new ATOM 0 HD22 ASN A 73 15.848 1.476 -11.987 1.00 2.72 H new ATOM 391 N GLU A 74 12.982 0.981 -12.964 1.00 1.36 N ATOM 392 CA GLU A 74 12.320 0.390 -14.112 1.00 1.47 C ATOM 393 C GLU A 74 13.315 -0.501 -14.840 1.00 1.66 C ATOM 394 O GLU A 74 14.382 -0.048 -15.257 1.00 1.85 O ATOM 395 CB GLU A 74 11.772 1.485 -15.030 1.00 1.58 C ATOM 396 CG GLU A 74 10.496 1.102 -15.767 1.00 1.92 C ATOM 397 CD GLU A 74 10.734 0.229 -16.983 1.00 2.42 C ATOM 398 OE1 GLU A 74 10.777 -1.010 -16.823 1.00 3.10 O ATOM 399 OE2 GLU A 74 10.903 0.772 -18.095 1.00 2.76 O ATOM 0 H GLU A 74 13.368 1.911 -13.128 1.00 1.36 H new ATOM 0 HA GLU A 74 11.473 -0.215 -13.789 1.00 1.47 H new ATOM 0 HB2 GLU A 74 11.581 2.379 -14.436 1.00 1.58 H new ATOM 0 HB3 GLU A 74 12.536 1.746 -15.762 1.00 1.58 H new ATOM 0 HG2 GLU A 74 9.833 0.578 -15.079 1.00 1.92 H new ATOM 0 HG3 GLU A 74 9.980 2.010 -16.078 1.00 1.92 H new ATOM 406 N GLY A 75 12.970 -1.767 -14.972 1.00 1.72 N ATOM 407 CA GLY A 75 13.923 -2.742 -15.447 1.00 1.98 C ATOM 408 C GLY A 75 14.613 -3.409 -14.280 1.00 1.93 C ATOM 409 O GLY A 75 15.691 -3.992 -14.420 1.00 2.40 O ATOM 0 H GLY A 75 12.045 -2.139 -14.758 1.00 1.72 H new ATOM 0 HA2 GLY A 75 13.416 -3.491 -16.055 1.00 1.98 H new ATOM 0 HA3 GLY A 75 14.661 -2.258 -16.087 1.00 1.98 H new ATOM 413 N GLY A 76 13.983 -3.293 -13.119 1.00 1.65 N ATOM 414 CA GLY A 76 14.499 -3.883 -11.905 1.00 1.58 C ATOM 415 C GLY A 76 13.371 -4.327 -10.997 1.00 1.36 C ATOM 416 O GLY A 76 12.219 -4.387 -11.435 1.00 1.30 O ATOM 0 H GLY A 76 13.105 -2.789 -12.999 1.00 1.65 H new ATOM 0 HA2 GLY A 76 15.131 -4.737 -12.151 1.00 1.58 H new ATOM 0 HA3 GLY A 76 15.128 -3.161 -11.384 1.00 1.58 H new ATOM 420 N PRO A 77 13.659 -4.654 -9.732 1.00 1.34 N ATOM 421 CA PRO A 77 12.638 -5.128 -8.797 1.00 1.20 C ATOM 422 C PRO A 77 11.651 -4.030 -8.398 1.00 0.98 C ATOM 423 O PRO A 77 12.043 -2.911 -8.058 1.00 1.03 O ATOM 424 CB PRO A 77 13.451 -5.587 -7.583 1.00 1.39 C ATOM 425 CG PRO A 77 14.721 -4.811 -7.654 1.00 1.59 C ATOM 426 CD PRO A 77 14.993 -4.585 -9.115 1.00 1.55 C ATOM 0 HA PRO A 77 12.021 -5.913 -9.235 1.00 1.20 H new ATOM 0 HB2 PRO A 77 12.918 -5.388 -6.653 1.00 1.39 H new ATOM 0 HB3 PRO A 77 13.641 -6.660 -7.618 1.00 1.39 H new ATOM 0 HG2 PRO A 77 14.628 -3.863 -7.124 1.00 1.59 H new ATOM 0 HG3 PRO A 77 15.539 -5.359 -7.186 1.00 1.59 H new ATOM 0 HD2 PRO A 77 15.466 -3.618 -9.290 1.00 1.55 H new ATOM 0 HD3 PRO A 77 15.662 -5.345 -9.520 1.00 1.55 H new ATOM 434 N SER A 78 10.369 -4.360 -8.444 1.00 0.87 N ATOM 435 CA SER A 78 9.327 -3.442 -8.027 1.00 0.69 C ATOM 436 C SER A 78 8.931 -3.731 -6.583 1.00 0.53 C ATOM 437 O SER A 78 9.064 -4.861 -6.109 1.00 0.64 O ATOM 438 CB SER A 78 8.117 -3.559 -8.958 1.00 0.86 C ATOM 439 OG SER A 78 7.746 -4.914 -9.150 1.00 1.55 O ATOM 0 H SER A 78 10.027 -5.264 -8.769 1.00 0.87 H new ATOM 0 HA SER A 78 9.703 -2.421 -8.085 1.00 0.69 H new ATOM 0 HB2 SER A 78 7.277 -3.005 -8.538 1.00 0.86 H new ATOM 0 HB3 SER A 78 8.350 -3.103 -9.920 1.00 0.86 H new ATOM 0 HG SER A 78 6.970 -4.959 -9.747 1.00 1.55 H new ATOM 445 N TYR A 79 8.460 -2.714 -5.883 1.00 0.36 N ATOM 446 CA TYR A 79 8.088 -2.863 -4.484 1.00 0.35 C ATOM 447 C TYR A 79 6.577 -2.844 -4.344 1.00 0.32 C ATOM 448 O TYR A 79 5.901 -2.168 -5.109 1.00 0.43 O ATOM 449 CB TYR A 79 8.703 -1.737 -3.647 1.00 0.43 C ATOM 450 CG TYR A 79 10.214 -1.757 -3.607 1.00 0.54 C ATOM 451 CD1 TYR A 79 10.912 -2.931 -3.353 1.00 0.69 C ATOM 452 CD2 TYR A 79 10.945 -0.598 -3.830 1.00 0.75 C ATOM 453 CE1 TYR A 79 12.297 -2.950 -3.320 1.00 0.80 C ATOM 454 CE2 TYR A 79 12.327 -0.607 -3.799 1.00 0.89 C ATOM 455 CZ TYR A 79 12.999 -1.784 -3.544 1.00 0.83 C ATOM 456 OH TYR A 79 14.377 -1.793 -3.511 1.00 1.00 O ATOM 0 H TYR A 79 8.325 -1.775 -6.259 1.00 0.36 H new ATOM 0 HA TYR A 79 8.468 -3.818 -4.121 1.00 0.35 H new ATOM 0 HB2 TYR A 79 8.373 -0.778 -4.047 1.00 0.43 H new ATOM 0 HB3 TYR A 79 8.322 -1.805 -2.628 1.00 0.43 H new ATOM 0 HD1 TYR A 79 10.365 -3.846 -3.178 1.00 0.69 H new ATOM 0 HD2 TYR A 79 10.425 0.327 -4.031 1.00 0.75 H new ATOM 0 HE1 TYR A 79 12.823 -3.872 -3.120 1.00 0.80 H new ATOM 0 HE2 TYR A 79 12.879 0.305 -3.974 1.00 0.89 H new ATOM 0 HH TYR A 79 14.714 -0.891 -3.690 1.00 1.00 H new ATOM 466 N LYS A 80 6.043 -3.593 -3.394 1.00 0.23 N ATOM 467 CA LYS A 80 4.607 -3.570 -3.146 1.00 0.21 C ATOM 468 C LYS A 80 4.330 -3.171 -1.706 1.00 0.19 C ATOM 469 O LYS A 80 5.037 -3.593 -0.793 1.00 0.20 O ATOM 470 CB LYS A 80 3.949 -4.926 -3.454 1.00 0.25 C ATOM 471 CG LYS A 80 4.206 -5.444 -4.864 1.00 0.29 C ATOM 472 CD LYS A 80 3.951 -4.378 -5.924 1.00 0.30 C ATOM 473 CE LYS A 80 2.659 -4.606 -6.692 1.00 0.48 C ATOM 474 NZ LYS A 80 2.549 -6.001 -7.198 1.00 0.80 N ATOM 0 H LYS A 80 6.573 -4.218 -2.787 1.00 0.23 H new ATOM 0 HA LYS A 80 4.170 -2.831 -3.818 1.00 0.21 H new ATOM 0 HB2 LYS A 80 4.311 -5.663 -2.737 1.00 0.25 H new ATOM 0 HB3 LYS A 80 2.873 -4.837 -3.303 1.00 0.25 H new ATOM 0 HG2 LYS A 80 5.237 -5.790 -4.940 1.00 0.29 H new ATOM 0 HG3 LYS A 80 3.566 -6.305 -5.055 1.00 0.29 H new ATOM 0 HD2 LYS A 80 3.916 -3.399 -5.447 1.00 0.30 H new ATOM 0 HD3 LYS A 80 4.786 -4.362 -6.624 1.00 0.30 H new ATOM 0 HE2 LYS A 80 1.809 -4.387 -6.045 1.00 0.48 H new ATOM 0 HE3 LYS A 80 2.608 -3.911 -7.530 1.00 0.48 H new ATOM 0 HZ1 LYS A 80 1.938 -6.018 -8.039 1.00 0.80 H new ATOM 0 HZ2 LYS A 80 3.494 -6.355 -7.449 1.00 0.80 H new ATOM 0 HZ3 LYS A 80 2.138 -6.607 -6.459 1.00 0.80 H new ATOM 488 N LEU A 81 3.302 -2.362 -1.515 1.00 0.20 N ATOM 489 CA LEU A 81 2.947 -1.852 -0.199 1.00 0.18 C ATOM 490 C LEU A 81 1.600 -2.417 0.230 1.00 0.19 C ATOM 491 O LEU A 81 0.562 -1.806 -0.010 1.00 0.20 O ATOM 492 CB LEU A 81 2.849 -0.326 -0.254 1.00 0.19 C ATOM 493 CG LEU A 81 3.138 0.437 1.043 1.00 0.19 C ATOM 494 CD1 LEU A 81 2.270 1.673 1.116 1.00 0.23 C ATOM 495 CD2 LEU A 81 2.925 -0.431 2.272 1.00 0.20 C ATOM 0 H LEU A 81 2.690 -2.040 -2.265 1.00 0.20 H new ATOM 0 HA LEU A 81 3.713 -2.152 0.516 1.00 0.18 H new ATOM 0 HB2 LEU A 81 3.540 0.030 -1.018 1.00 0.19 H new ATOM 0 HB3 LEU A 81 1.844 -0.063 -0.585 1.00 0.19 H new ATOM 0 HG LEU A 81 4.188 0.730 1.031 1.00 0.19 H new ATOM 0 HD11 LEU A 81 2.480 2.211 2.040 1.00 0.23 H new ATOM 0 HD12 LEU A 81 2.483 2.318 0.264 1.00 0.23 H new ATOM 0 HD13 LEU A 81 1.220 1.382 1.096 1.00 0.23 H new ATOM 0 HD21 LEU A 81 3.141 0.149 3.169 1.00 0.20 H new ATOM 0 HD22 LEU A 81 1.890 -0.773 2.301 1.00 0.20 H new ATOM 0 HD23 LEU A 81 3.591 -1.293 2.228 1.00 0.20 H new ATOM 507 N PRO A 82 1.598 -3.587 0.861 1.00 0.22 N ATOM 508 CA PRO A 82 0.377 -4.213 1.370 1.00 0.23 C ATOM 509 C PRO A 82 -0.346 -3.363 2.408 1.00 0.20 C ATOM 510 O PRO A 82 0.121 -3.201 3.537 1.00 0.19 O ATOM 511 CB PRO A 82 0.885 -5.505 1.999 1.00 0.28 C ATOM 512 CG PRO A 82 2.170 -5.773 1.313 1.00 0.31 C ATOM 513 CD PRO A 82 2.777 -4.426 1.086 1.00 0.27 C ATOM 0 HA PRO A 82 -0.358 -4.359 0.579 1.00 0.23 H new ATOM 0 HB2 PRO A 82 1.025 -5.394 3.074 1.00 0.28 H new ATOM 0 HB3 PRO A 82 0.179 -6.322 1.852 1.00 0.28 H new ATOM 0 HG2 PRO A 82 2.820 -6.401 1.923 1.00 0.31 H new ATOM 0 HG3 PRO A 82 2.012 -6.298 0.371 1.00 0.31 H new ATOM 0 HD2 PRO A 82 3.357 -4.091 1.946 1.00 0.27 H new ATOM 0 HD3 PRO A 82 3.449 -4.422 0.228 1.00 0.27 H new ATOM 521 N TYR A 83 -1.502 -2.847 2.017 1.00 0.22 N ATOM 522 CA TYR A 83 -2.329 -2.049 2.901 1.00 0.21 C ATOM 523 C TYR A 83 -3.587 -2.814 3.275 1.00 0.21 C ATOM 524 O TYR A 83 -4.290 -3.327 2.406 1.00 0.22 O ATOM 525 CB TYR A 83 -2.700 -0.718 2.228 1.00 0.27 C ATOM 526 CG TYR A 83 -3.773 0.072 2.951 1.00 0.41 C ATOM 527 CD1 TYR A 83 -3.641 0.397 4.296 1.00 0.50 C ATOM 528 CD2 TYR A 83 -4.913 0.500 2.282 1.00 0.62 C ATOM 529 CE1 TYR A 83 -4.615 1.127 4.953 1.00 0.73 C ATOM 530 CE2 TYR A 83 -5.892 1.228 2.934 1.00 0.82 C ATOM 531 CZ TYR A 83 -5.740 1.539 4.269 1.00 0.86 C ATOM 532 OH TYR A 83 -6.709 2.272 4.918 1.00 1.10 O ATOM 0 H TYR A 83 -1.889 -2.971 1.081 1.00 0.22 H new ATOM 0 HA TYR A 83 -1.764 -1.836 3.808 1.00 0.21 H new ATOM 0 HB2 TYR A 83 -1.804 -0.103 2.149 1.00 0.27 H new ATOM 0 HB3 TYR A 83 -3.038 -0.921 1.212 1.00 0.27 H new ATOM 0 HD1 TYR A 83 -2.764 0.074 4.837 1.00 0.50 H new ATOM 0 HD2 TYR A 83 -5.037 0.260 1.236 1.00 0.62 H new ATOM 0 HE1 TYR A 83 -4.495 1.374 5.998 1.00 0.73 H new ATOM 0 HE2 TYR A 83 -6.773 1.552 2.399 1.00 0.82 H new ATOM 0 HH TYR A 83 -7.434 2.482 4.293 1.00 1.10 H new ATOM 542 N ASN A 84 -3.840 -2.922 4.568 1.00 0.27 N ATOM 543 CA ASN A 84 -5.102 -3.451 5.056 1.00 0.31 C ATOM 544 C ASN A 84 -5.974 -2.282 5.473 1.00 0.32 C ATOM 545 O ASN A 84 -5.523 -1.394 6.186 1.00 0.39 O ATOM 546 CB ASN A 84 -4.883 -4.412 6.223 1.00 0.44 C ATOM 547 CG ASN A 84 -6.182 -4.936 6.801 1.00 1.14 C ATOM 548 OD1 ASN A 84 -6.757 -5.897 6.296 1.00 1.98 O ATOM 549 ND2 ASN A 84 -6.624 -4.341 7.897 1.00 2.00 N ATOM 0 H ASN A 84 -3.185 -2.649 5.301 1.00 0.27 H new ATOM 0 HA ASN A 84 -5.593 -4.019 4.266 1.00 0.31 H new ATOM 0 HB2 ASN A 84 -4.275 -5.252 5.887 1.00 0.44 H new ATOM 0 HB3 ASN A 84 -4.321 -3.904 7.006 1.00 0.44 H new ATOM 0 HD21 ASN A 84 -7.471 -4.678 8.354 1.00 2.00 H new ATOM 0 HD22 ASN A 84 -6.117 -3.545 8.285 1.00 2.00 H new ATOM 556 N THR A 85 -7.220 -2.301 5.045 1.00 0.32 N ATOM 557 CA THR A 85 -8.078 -1.119 5.098 1.00 0.34 C ATOM 558 C THR A 85 -8.390 -0.647 6.517 1.00 0.35 C ATOM 559 O THR A 85 -8.899 0.457 6.708 1.00 0.40 O ATOM 560 CB THR A 85 -9.389 -1.373 4.340 1.00 0.37 C ATOM 561 OG1 THR A 85 -9.979 -2.605 4.783 1.00 0.38 O ATOM 562 CG2 THR A 85 -9.119 -1.439 2.851 1.00 0.41 C ATOM 0 H THR A 85 -7.671 -3.127 4.652 1.00 0.32 H new ATOM 0 HA THR A 85 -7.512 -0.320 4.619 1.00 0.34 H new ATOM 0 HB THR A 85 -10.080 -0.554 4.541 1.00 0.37 H new ATOM 0 HG1 THR A 85 -9.629 -3.347 4.247 1.00 0.38 H new ATOM 0 HG21 THR A 85 -10.053 -1.619 2.319 1.00 0.41 H new ATOM 0 HG22 THR A 85 -8.688 -0.495 2.517 1.00 0.41 H new ATOM 0 HG23 THR A 85 -8.421 -2.250 2.643 1.00 0.41 H new ATOM 570 N SER A 86 -8.083 -1.465 7.503 1.00 0.33 N ATOM 571 CA SER A 86 -8.344 -1.105 8.889 1.00 0.37 C ATOM 572 C SER A 86 -7.064 -0.612 9.571 1.00 0.31 C ATOM 573 O SER A 86 -7.047 -0.354 10.776 1.00 0.33 O ATOM 574 CB SER A 86 -8.927 -2.305 9.635 1.00 0.49 C ATOM 575 OG SER A 86 -9.665 -1.897 10.774 1.00 1.30 O ATOM 0 H SER A 86 -7.654 -2.381 7.375 1.00 0.33 H new ATOM 0 HA SER A 86 -9.069 -0.292 8.911 1.00 0.37 H new ATOM 0 HB2 SER A 86 -9.573 -2.873 8.965 1.00 0.49 H new ATOM 0 HB3 SER A 86 -8.121 -2.972 9.941 1.00 0.49 H new ATOM 0 HG SER A 86 -9.166 -1.205 11.256 1.00 1.30 H new ATOM 581 N ASP A 87 -5.999 -0.472 8.792 1.00 0.29 N ATOM 582 CA ASP A 87 -4.710 -0.039 9.323 1.00 0.28 C ATOM 583 C ASP A 87 -4.439 1.412 8.956 1.00 0.20 C ATOM 584 O ASP A 87 -4.957 1.919 7.965 1.00 0.22 O ATOM 585 CB ASP A 87 -3.585 -0.930 8.794 1.00 0.38 C ATOM 586 CG ASP A 87 -3.563 -2.295 9.453 1.00 0.93 C ATOM 587 OD1 ASP A 87 -4.296 -3.199 9.000 1.00 1.37 O ATOM 588 OD2 ASP A 87 -2.806 -2.474 10.429 1.00 1.55 O ATOM 0 H ASP A 87 -6.001 -0.652 7.788 1.00 0.29 H new ATOM 0 HA ASP A 87 -4.745 -0.124 10.409 1.00 0.28 H new ATOM 0 HB2 ASP A 87 -3.700 -1.053 7.717 1.00 0.38 H new ATOM 0 HB3 ASP A 87 -2.627 -0.436 8.958 1.00 0.38 H new ATOM 593 N ASP A 88 -3.628 2.078 9.767 1.00 0.19 N ATOM 594 CA ASP A 88 -3.323 3.490 9.560 1.00 0.14 C ATOM 595 C ASP A 88 -2.263 3.667 8.482 1.00 0.12 C ATOM 596 O ASP A 88 -1.375 2.821 8.346 1.00 0.15 O ATOM 597 CB ASP A 88 -2.835 4.140 10.857 1.00 0.18 C ATOM 598 CG ASP A 88 -3.859 4.071 11.971 1.00 0.24 C ATOM 599 OD1 ASP A 88 -3.948 3.028 12.649 1.00 0.39 O ATOM 600 OD2 ASP A 88 -4.566 5.073 12.191 1.00 0.41 O ATOM 0 H ASP A 88 -3.168 1.663 10.577 1.00 0.19 H new ATOM 0 HA ASP A 88 -4.244 3.977 9.239 1.00 0.14 H new ATOM 0 HB2 ASP A 88 -1.918 3.648 11.182 1.00 0.18 H new ATOM 0 HB3 ASP A 88 -2.585 5.183 10.663 1.00 0.18 H new ATOM 605 N PRO A 89 -2.325 4.762 7.706 1.00 0.11 N ATOM 606 CA PRO A 89 -1.388 5.013 6.605 1.00 0.11 C ATOM 607 C PRO A 89 0.061 4.992 7.052 1.00 0.10 C ATOM 608 O PRO A 89 0.847 4.155 6.603 1.00 0.11 O ATOM 609 CB PRO A 89 -1.752 6.418 6.116 1.00 0.13 C ATOM 610 CG PRO A 89 -2.617 6.997 7.185 1.00 0.15 C ATOM 611 CD PRO A 89 -3.318 5.838 7.821 1.00 0.13 C ATOM 0 HA PRO A 89 -1.472 4.241 5.840 1.00 0.11 H new ATOM 0 HB2 PRO A 89 -0.859 7.024 5.962 1.00 0.13 H new ATOM 0 HB3 PRO A 89 -2.279 6.378 5.163 1.00 0.13 H new ATOM 0 HG2 PRO A 89 -2.021 7.542 7.917 1.00 0.15 H new ATOM 0 HG3 PRO A 89 -3.333 7.705 6.767 1.00 0.15 H new ATOM 0 HD2 PRO A 89 -3.577 6.041 8.860 1.00 0.13 H new ATOM 0 HD3 PRO A 89 -4.245 5.591 7.304 1.00 0.13 H new ATOM 619 N TRP A 90 0.395 5.904 7.955 1.00 0.12 N ATOM 620 CA TRP A 90 1.759 6.067 8.418 1.00 0.14 C ATOM 621 C TRP A 90 2.276 4.790 9.066 1.00 0.13 C ATOM 622 O TRP A 90 3.470 4.551 9.080 1.00 0.14 O ATOM 623 CB TRP A 90 1.866 7.257 9.379 1.00 0.19 C ATOM 624 CG TRP A 90 0.970 7.167 10.579 1.00 0.95 C ATOM 625 CD1 TRP A 90 -0.389 7.301 10.606 1.00 1.84 C ATOM 626 CD2 TRP A 90 1.376 6.955 11.936 1.00 1.69 C ATOM 627 NE1 TRP A 90 -0.852 7.165 11.890 1.00 2.31 N ATOM 628 CE2 TRP A 90 0.212 6.958 12.725 1.00 2.19 C ATOM 629 CE3 TRP A 90 2.612 6.755 12.556 1.00 2.57 C ATOM 630 CZ2 TRP A 90 0.247 6.766 14.104 1.00 2.98 C ATOM 631 CZ3 TRP A 90 2.647 6.573 13.925 1.00 3.51 C ATOM 632 CH2 TRP A 90 1.472 6.579 14.687 1.00 3.56 C ATOM 0 H TRP A 90 -0.271 6.547 8.383 1.00 0.12 H new ATOM 0 HA TRP A 90 2.387 6.274 7.552 1.00 0.14 H new ATOM 0 HB2 TRP A 90 2.899 7.343 9.717 1.00 0.19 H new ATOM 0 HB3 TRP A 90 1.632 8.171 8.834 1.00 0.19 H new ATOM 0 HD1 TRP A 90 -1.009 7.487 9.742 1.00 1.84 H new ATOM 0 HE1 TRP A 90 -1.830 7.211 12.176 1.00 2.31 H new ATOM 0 HE3 TRP A 90 3.523 6.743 11.976 1.00 2.57 H new ATOM 0 HZ2 TRP A 90 -0.659 6.765 14.692 1.00 2.98 H new ATOM 0 HZ3 TRP A 90 3.597 6.423 14.416 1.00 3.51 H new ATOM 0 HH2 TRP A 90 1.533 6.433 15.755 1.00 3.56 H new ATOM 643 N LEU A 91 1.375 3.965 9.585 1.00 0.13 N ATOM 644 CA LEU A 91 1.768 2.686 10.161 1.00 0.15 C ATOM 645 C LEU A 91 2.027 1.656 9.068 1.00 0.15 C ATOM 646 O LEU A 91 3.073 1.012 9.049 1.00 0.18 O ATOM 647 CB LEU A 91 0.689 2.168 11.113 1.00 0.17 C ATOM 648 CG LEU A 91 0.451 3.024 12.354 1.00 0.21 C ATOM 649 CD1 LEU A 91 -0.611 2.400 13.241 1.00 0.24 C ATOM 650 CD2 LEU A 91 1.746 3.203 13.119 1.00 0.33 C ATOM 0 H LEU A 91 0.374 4.157 9.619 1.00 0.13 H new ATOM 0 HA LEU A 91 2.690 2.842 10.722 1.00 0.15 H new ATOM 0 HB2 LEU A 91 -0.249 2.085 10.563 1.00 0.17 H new ATOM 0 HB3 LEU A 91 0.961 1.162 11.432 1.00 0.17 H new ATOM 0 HG LEU A 91 0.094 4.004 12.037 1.00 0.21 H new ATOM 0 HD11 LEU A 91 -0.765 3.026 14.120 1.00 0.24 H new ATOM 0 HD12 LEU A 91 -1.546 2.317 12.686 1.00 0.24 H new ATOM 0 HD13 LEU A 91 -0.286 1.408 13.555 1.00 0.24 H new ATOM 0 HD21 LEU A 91 1.565 3.815 14.002 1.00 0.33 H new ATOM 0 HD22 LEU A 91 2.126 2.228 13.425 1.00 0.33 H new ATOM 0 HD23 LEU A 91 2.480 3.695 12.481 1.00 0.33 H new ATOM 662 N THR A 92 1.069 1.517 8.160 1.00 0.14 N ATOM 663 CA THR A 92 1.184 0.578 7.050 1.00 0.16 C ATOM 664 C THR A 92 2.422 0.874 6.210 1.00 0.14 C ATOM 665 O THR A 92 3.192 -0.022 5.860 1.00 0.15 O ATOM 666 CB THR A 92 -0.065 0.652 6.152 1.00 0.17 C ATOM 667 OG1 THR A 92 -1.239 0.357 6.918 1.00 0.25 O ATOM 668 CG2 THR A 92 0.044 -0.308 4.976 1.00 0.20 C ATOM 0 H THR A 92 0.197 2.047 8.171 1.00 0.14 H new ATOM 0 HA THR A 92 1.272 -0.423 7.471 1.00 0.16 H new ATOM 0 HB THR A 92 -0.137 1.665 5.757 1.00 0.17 H new ATOM 0 HG1 THR A 92 -1.452 1.119 7.496 1.00 0.25 H new ATOM 0 HG21 THR A 92 -0.853 -0.233 4.361 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.918 -0.052 4.377 1.00 0.20 H new ATOM 0 HG23 THR A 92 0.145 -1.328 5.347 1.00 0.20 H new ATOM 676 N ALA A 93 2.612 2.146 5.911 1.00 0.12 N ATOM 677 CA ALA A 93 3.712 2.582 5.085 1.00 0.12 C ATOM 678 C ALA A 93 5.031 2.419 5.820 1.00 0.11 C ATOM 679 O ALA A 93 6.040 2.039 5.229 1.00 0.11 O ATOM 680 CB ALA A 93 3.490 4.024 4.697 1.00 0.12 C ATOM 0 H ALA A 93 2.007 2.901 6.235 1.00 0.12 H new ATOM 0 HA ALA A 93 3.758 1.968 4.186 1.00 0.12 H new ATOM 0 HB1 ALA A 93 4.316 4.364 4.072 1.00 0.12 H new ATOM 0 HB2 ALA A 93 2.556 4.112 4.143 1.00 0.12 H new ATOM 0 HB3 ALA A 93 3.438 4.639 5.596 1.00 0.12 H new ATOM 686 N TYR A 94 5.003 2.697 7.115 1.00 0.11 N ATOM 687 CA TYR A 94 6.178 2.566 7.961 1.00 0.12 C ATOM 688 C TYR A 94 6.586 1.101 8.042 1.00 0.15 C ATOM 689 O TYR A 94 7.768 0.772 7.970 1.00 0.15 O ATOM 690 CB TYR A 94 5.856 3.095 9.353 1.00 0.15 C ATOM 691 CG TYR A 94 7.063 3.427 10.191 1.00 0.19 C ATOM 692 CD1 TYR A 94 7.799 2.426 10.800 1.00 0.23 C ATOM 693 CD2 TYR A 94 7.450 4.743 10.390 1.00 0.20 C ATOM 694 CE1 TYR A 94 8.894 2.722 11.587 1.00 0.28 C ATOM 695 CE2 TYR A 94 8.549 5.052 11.171 1.00 0.26 C ATOM 696 CZ TYR A 94 9.266 4.037 11.770 1.00 0.30 C ATOM 697 OH TYR A 94 10.353 4.339 12.559 1.00 0.36 O ATOM 0 H TYR A 94 4.169 3.018 7.606 1.00 0.11 H new ATOM 0 HA TYR A 94 7.002 3.141 7.539 1.00 0.12 H new ATOM 0 HB2 TYR A 94 5.241 3.989 9.254 1.00 0.15 H new ATOM 0 HB3 TYR A 94 5.257 2.353 9.880 1.00 0.15 H new ATOM 0 HD1 TYR A 94 7.512 1.395 10.657 1.00 0.23 H new ATOM 0 HD2 TYR A 94 6.885 5.539 9.928 1.00 0.20 H new ATOM 0 HE1 TYR A 94 9.456 1.928 12.057 1.00 0.28 H new ATOM 0 HE2 TYR A 94 8.844 6.081 11.311 1.00 0.26 H new ATOM 0 HH TYR A 94 10.480 5.310 12.583 1.00 0.36 H new ATOM 707 N ASN A 95 5.586 0.235 8.182 1.00 0.17 N ATOM 708 CA ASN A 95 5.795 -1.210 8.238 1.00 0.21 C ATOM 709 C ASN A 95 6.546 -1.690 7.006 1.00 0.20 C ATOM 710 O ASN A 95 7.510 -2.442 7.109 1.00 0.22 O ATOM 711 CB ASN A 95 4.452 -1.936 8.337 1.00 0.27 C ATOM 712 CG ASN A 95 4.599 -3.441 8.493 1.00 1.06 C ATOM 713 OD1 ASN A 95 5.553 -3.929 9.097 1.00 1.64 O ATOM 714 ND2 ASN A 95 3.655 -4.185 7.939 1.00 1.91 N ATOM 0 H ASN A 95 4.608 0.514 8.260 1.00 0.17 H new ATOM 0 HA ASN A 95 6.390 -1.434 9.123 1.00 0.21 H new ATOM 0 HB2 ASN A 95 3.894 -1.541 9.186 1.00 0.27 H new ATOM 0 HB3 ASN A 95 3.865 -1.725 7.443 1.00 0.27 H new ATOM 0 HD21 ASN A 95 3.703 -5.202 8.005 1.00 1.91 H new ATOM 0 HD22 ASN A 95 2.880 -3.742 7.446 1.00 1.91 H new ATOM 721 N PHE A 96 6.107 -1.249 5.839 1.00 0.18 N ATOM 722 CA PHE A 96 6.777 -1.608 4.602 1.00 0.18 C ATOM 723 C PHE A 96 8.144 -0.932 4.515 1.00 0.15 C ATOM 724 O PHE A 96 9.118 -1.539 4.064 1.00 0.17 O ATOM 725 CB PHE A 96 5.903 -1.245 3.396 1.00 0.18 C ATOM 726 CG PHE A 96 6.612 -1.373 2.077 1.00 0.20 C ATOM 727 CD1 PHE A 96 7.093 -2.602 1.652 1.00 0.24 C ATOM 728 CD2 PHE A 96 6.804 -0.265 1.267 1.00 0.20 C ATOM 729 CE1 PHE A 96 7.752 -2.723 0.444 1.00 0.29 C ATOM 730 CE2 PHE A 96 7.461 -0.382 0.057 1.00 0.25 C ATOM 731 CZ PHE A 96 7.935 -1.611 -0.354 1.00 0.29 C ATOM 0 H PHE A 96 5.293 -0.645 5.723 1.00 0.18 H new ATOM 0 HA PHE A 96 6.936 -2.686 4.592 1.00 0.18 H new ATOM 0 HB2 PHE A 96 5.023 -1.888 3.389 1.00 0.18 H new ATOM 0 HB3 PHE A 96 5.549 -0.221 3.510 1.00 0.18 H new ATOM 0 HD1 PHE A 96 6.951 -3.475 2.272 1.00 0.24 H new ATOM 0 HD2 PHE A 96 6.436 0.700 1.585 1.00 0.20 H new ATOM 0 HE1 PHE A 96 8.123 -3.685 0.124 1.00 0.29 H new ATOM 0 HE2 PHE A 96 7.603 0.488 -0.567 1.00 0.25 H new ATOM 0 HZ PHE A 96 8.449 -1.703 -1.299 1.00 0.29 H new ATOM 741 N LEU A 97 8.215 0.311 4.972 1.00 0.12 N ATOM 742 CA LEU A 97 9.454 1.072 4.935 1.00 0.12 C ATOM 743 C LEU A 97 10.539 0.411 5.786 1.00 0.14 C ATOM 744 O LEU A 97 11.688 0.328 5.371 1.00 0.20 O ATOM 745 CB LEU A 97 9.208 2.506 5.401 1.00 0.10 C ATOM 746 CG LEU A 97 9.709 3.586 4.451 1.00 0.10 C ATOM 747 CD1 LEU A 97 8.956 3.500 3.135 1.00 0.13 C ATOM 748 CD2 LEU A 97 9.545 4.961 5.070 1.00 0.10 C ATOM 0 H LEU A 97 7.424 0.815 5.374 1.00 0.12 H new ATOM 0 HA LEU A 97 9.807 1.092 3.904 1.00 0.12 H new ATOM 0 HB2 LEU A 97 8.137 2.644 5.552 1.00 0.10 H new ATOM 0 HB3 LEU A 97 9.687 2.645 6.370 1.00 0.10 H new ATOM 0 HG LEU A 97 10.771 3.426 4.263 1.00 0.10 H new ATOM 0 HD11 LEU A 97 9.317 4.274 2.458 1.00 0.13 H new ATOM 0 HD12 LEU A 97 9.119 2.520 2.686 1.00 0.13 H new ATOM 0 HD13 LEU A 97 7.891 3.644 3.315 1.00 0.13 H new ATOM 0 HD21 LEU A 97 9.909 5.718 4.376 1.00 0.10 H new ATOM 0 HD22 LEU A 97 8.491 5.141 5.284 1.00 0.10 H new ATOM 0 HD23 LEU A 97 10.117 5.014 5.996 1.00 0.10 H new ATOM 760 N GLN A 98 10.173 -0.066 6.969 1.00 0.19 N ATOM 761 CA GLN A 98 11.122 -0.775 7.826 1.00 0.26 C ATOM 762 C GLN A 98 11.387 -2.176 7.281 1.00 0.27 C ATOM 763 O GLN A 98 12.504 -2.682 7.359 1.00 0.33 O ATOM 764 CB GLN A 98 10.609 -0.867 9.268 1.00 0.34 C ATOM 765 CG GLN A 98 9.259 -1.541 9.387 1.00 1.08 C ATOM 766 CD GLN A 98 8.858 -1.836 10.814 1.00 1.95 C ATOM 767 OE1 GLN A 98 8.263 -1.000 11.490 1.00 2.43 O ATOM 768 NE2 GLN A 98 9.167 -3.035 11.275 1.00 2.80 N ATOM 0 H GLN A 98 9.234 0.023 7.357 1.00 0.19 H new ATOM 0 HA GLN A 98 12.053 -0.208 7.829 1.00 0.26 H new ATOM 0 HB2 GLN A 98 11.334 -1.416 9.869 1.00 0.34 H new ATOM 0 HB3 GLN A 98 10.543 0.137 9.686 1.00 0.34 H new ATOM 0 HG2 GLN A 98 8.502 -0.904 8.929 1.00 1.08 H new ATOM 0 HG3 GLN A 98 9.276 -2.473 8.822 1.00 1.08 H new ATOM 0 HE21 GLN A 98 9.662 -3.699 10.679 1.00 2.80 H new ATOM 0 HE22 GLN A 98 8.911 -3.297 12.227 1.00 2.80 H new ATOM 777 N LYS A 99 10.352 -2.782 6.707 1.00 0.27 N ATOM 778 CA LYS A 99 10.439 -4.142 6.196 1.00 0.31 C ATOM 779 C LYS A 99 11.446 -4.249 5.063 1.00 0.30 C ATOM 780 O LYS A 99 12.237 -5.190 5.011 1.00 0.35 O ATOM 781 CB LYS A 99 9.073 -4.603 5.690 1.00 0.34 C ATOM 782 CG LYS A 99 9.101 -5.977 5.054 1.00 0.42 C ATOM 783 CD LYS A 99 8.484 -5.960 3.667 1.00 0.47 C ATOM 784 CE LYS A 99 8.846 -7.210 2.884 1.00 0.79 C ATOM 785 NZ LYS A 99 8.643 -8.447 3.681 1.00 1.30 N ATOM 0 H LYS A 99 9.438 -2.347 6.585 1.00 0.27 H new ATOM 0 HA LYS A 99 10.768 -4.778 7.017 1.00 0.31 H new ATOM 0 HB2 LYS A 99 8.369 -4.610 6.522 1.00 0.34 H new ATOM 0 HB3 LYS A 99 8.700 -3.881 4.963 1.00 0.34 H new ATOM 0 HG2 LYS A 99 10.131 -6.329 4.991 1.00 0.42 H new ATOM 0 HG3 LYS A 99 8.561 -6.683 5.685 1.00 0.42 H new ATOM 0 HD2 LYS A 99 7.400 -5.882 3.750 1.00 0.47 H new ATOM 0 HD3 LYS A 99 8.826 -5.078 3.126 1.00 0.47 H new ATOM 0 HE2 LYS A 99 8.240 -7.259 1.979 1.00 0.79 H new ATOM 0 HE3 LYS A 99 9.887 -7.150 2.567 1.00 0.79 H new ATOM 0 HZ1 LYS A 99 8.704 -9.276 3.056 1.00 1.30 H new ATOM 0 HZ2 LYS A 99 9.377 -8.512 4.415 1.00 1.30 H new ATOM 0 HZ3 LYS A 99 7.706 -8.420 4.131 1.00 1.30 H new ATOM 799 N ASN A 100 11.415 -3.285 4.154 1.00 0.26 N ATOM 800 CA ASN A 100 12.289 -3.325 2.991 1.00 0.29 C ATOM 801 C ASN A 100 13.489 -2.413 3.197 1.00 0.28 C ATOM 802 O ASN A 100 14.394 -2.355 2.365 1.00 0.36 O ATOM 803 CB ASN A 100 11.518 -2.918 1.732 1.00 0.33 C ATOM 804 CG ASN A 100 11.952 -3.695 0.498 1.00 0.52 C ATOM 805 OD1 ASN A 100 11.125 -4.069 -0.331 1.00 1.13 O ATOM 806 ND2 ASN A 100 13.249 -3.930 0.354 1.00 1.10 N ATOM 0 H ASN A 100 10.800 -2.473 4.198 1.00 0.26 H new ATOM 0 HA ASN A 100 12.649 -4.346 2.862 1.00 0.29 H new ATOM 0 HB2 ASN A 100 10.452 -3.074 1.898 1.00 0.33 H new ATOM 0 HB3 ASN A 100 11.660 -1.852 1.553 1.00 0.33 H new ATOM 0 HD21 ASN A 100 13.588 -4.436 -0.464 1.00 1.10 H new ATOM 0 HD22 ASN A 100 13.908 -3.605 1.062 1.00 1.10 H new ATOM 813 N ASP A 101 13.471 -1.715 4.333 1.00 0.25 N ATOM 814 CA ASP A 101 14.514 -0.754 4.705 1.00 0.27 C ATOM 815 C ASP A 101 14.588 0.376 3.682 1.00 0.24 C ATOM 816 O ASP A 101 15.584 0.540 2.982 1.00 0.28 O ATOM 817 CB ASP A 101 15.876 -1.444 4.847 1.00 0.38 C ATOM 818 CG ASP A 101 16.892 -0.594 5.589 1.00 1.09 C ATOM 819 OD1 ASP A 101 16.898 -0.602 6.840 1.00 1.17 O ATOM 820 OD2 ASP A 101 17.677 0.113 4.921 1.00 2.01 O ATOM 0 H ASP A 101 12.728 -1.800 5.027 1.00 0.25 H new ATOM 0 HA ASP A 101 14.251 -0.329 5.674 1.00 0.27 H new ATOM 0 HB2 ASP A 101 15.746 -2.389 5.374 1.00 0.38 H new ATOM 0 HB3 ASP A 101 16.263 -1.682 3.856 1.00 0.38 H new ATOM 825 N LEU A 102 13.509 1.140 3.587 1.00 0.20 N ATOM 826 CA LEU A 102 13.440 2.258 2.662 1.00 0.20 C ATOM 827 C LEU A 102 13.716 3.569 3.383 1.00 0.19 C ATOM 828 O LEU A 102 13.856 3.610 4.606 1.00 0.22 O ATOM 829 CB LEU A 102 12.056 2.341 1.995 1.00 0.19 C ATOM 830 CG LEU A 102 11.659 1.194 1.056 1.00 0.24 C ATOM 831 CD1 LEU A 102 12.848 0.332 0.676 1.00 0.26 C ATOM 832 CD2 LEU A 102 10.558 0.366 1.681 1.00 0.23 C ATOM 0 H LEU A 102 12.665 1.003 4.144 1.00 0.20 H new ATOM 0 HA LEU A 102 14.198 2.093 1.896 1.00 0.20 H new ATOM 0 HB2 LEU A 102 11.305 2.408 2.782 1.00 0.19 H new ATOM 0 HB3 LEU A 102 12.009 3.272 1.430 1.00 0.19 H new ATOM 0 HG LEU A 102 11.284 1.633 0.132 1.00 0.24 H new ATOM 0 HD11 LEU A 102 12.520 -0.467 0.011 1.00 0.26 H new ATOM 0 HD12 LEU A 102 13.594 0.944 0.168 1.00 0.26 H new ATOM 0 HD13 LEU A 102 13.286 -0.101 1.575 1.00 0.26 H new ATOM 0 HD21 LEU A 102 10.285 -0.445 1.006 1.00 0.23 H new ATOM 0 HD22 LEU A 102 10.908 -0.051 2.626 1.00 0.23 H new ATOM 0 HD23 LEU A 102 9.687 0.996 1.863 1.00 0.23 H new ATOM 844 N ASN A 103 13.784 4.636 2.607 1.00 0.20 N ATOM 845 CA ASN A 103 13.993 5.975 3.133 1.00 0.21 C ATOM 846 C ASN A 103 12.690 6.501 3.726 1.00 0.18 C ATOM 847 O ASN A 103 11.632 6.385 3.113 1.00 0.16 O ATOM 848 CB ASN A 103 14.456 6.887 1.992 1.00 0.26 C ATOM 849 CG ASN A 103 15.016 8.235 2.423 1.00 0.35 C ATOM 850 OD1 ASN A 103 14.549 8.859 3.372 1.00 0.87 O ATOM 851 ND2 ASN A 103 16.029 8.696 1.708 1.00 0.88 N ATOM 0 H ASN A 103 13.696 4.599 1.591 1.00 0.20 H new ATOM 0 HA ASN A 103 14.752 5.954 3.915 1.00 0.21 H new ATOM 0 HB2 ASN A 103 15.219 6.363 1.416 1.00 0.26 H new ATOM 0 HB3 ASN A 103 13.614 7.059 1.322 1.00 0.26 H new ATOM 0 HD21 ASN A 103 16.448 9.597 1.939 1.00 0.88 H new ATOM 0 HD22 ASN A 103 16.391 8.150 0.926 1.00 0.88 H new ATOM 858 N PRO A 104 12.763 7.089 4.928 1.00 0.21 N ATOM 859 CA PRO A 104 11.607 7.664 5.629 1.00 0.21 C ATOM 860 C PRO A 104 10.908 8.738 4.795 1.00 0.22 C ATOM 861 O PRO A 104 9.765 9.106 5.063 1.00 0.23 O ATOM 862 CB PRO A 104 12.222 8.275 6.892 1.00 0.28 C ATOM 863 CG PRO A 104 13.502 7.536 7.086 1.00 0.32 C ATOM 864 CD PRO A 104 13.999 7.235 5.702 1.00 0.28 C ATOM 0 HA PRO A 104 10.839 6.919 5.837 1.00 0.21 H new ATOM 0 HB2 PRO A 104 12.397 9.344 6.770 1.00 0.28 H new ATOM 0 HB3 PRO A 104 11.562 8.156 7.751 1.00 0.28 H new ATOM 0 HG2 PRO A 104 14.223 8.137 7.641 1.00 0.32 H new ATOM 0 HG3 PRO A 104 13.345 6.620 7.655 1.00 0.32 H new ATOM 0 HD2 PRO A 104 14.624 8.039 5.315 1.00 0.28 H new ATOM 0 HD3 PRO A 104 14.599 6.325 5.678 1.00 0.28 H new ATOM 872 N MET A 105 11.610 9.217 3.774 1.00 0.24 N ATOM 873 CA MET A 105 11.065 10.182 2.828 1.00 0.29 C ATOM 874 C MET A 105 9.922 9.570 2.022 1.00 0.26 C ATOM 875 O MET A 105 9.098 10.283 1.445 1.00 0.34 O ATOM 876 CB MET A 105 12.161 10.648 1.872 1.00 0.35 C ATOM 877 CG MET A 105 11.736 11.777 0.946 1.00 0.44 C ATOM 878 SD MET A 105 12.978 12.166 -0.302 1.00 0.92 S ATOM 879 CE MET A 105 14.394 12.542 0.727 1.00 2.08 C ATOM 0 H MET A 105 12.574 8.946 3.579 1.00 0.24 H new ATOM 0 HA MET A 105 10.681 11.031 3.393 1.00 0.29 H new ATOM 0 HB2 MET A 105 13.022 10.975 2.455 1.00 0.35 H new ATOM 0 HB3 MET A 105 12.487 9.801 1.269 1.00 0.35 H new ATOM 0 HG2 MET A 105 10.804 11.503 0.451 1.00 0.44 H new ATOM 0 HG3 MET A 105 11.532 12.669 1.539 1.00 0.44 H new ATOM 0 HE1 MET A 105 15.137 13.083 0.140 1.00 2.08 H new ATOM 0 HE2 MET A 105 14.078 13.158 1.569 1.00 2.08 H new ATOM 0 HE3 MET A 105 14.830 11.615 1.099 1.00 2.08 H new ATOM 889 N PHE A 106 9.864 8.245 1.993 1.00 0.20 N ATOM 890 CA PHE A 106 8.851 7.553 1.213 1.00 0.19 C ATOM 891 C PHE A 106 7.558 7.438 2.001 1.00 0.16 C ATOM 892 O PHE A 106 6.486 7.322 1.417 1.00 0.17 O ATOM 893 CB PHE A 106 9.333 6.155 0.820 1.00 0.19 C ATOM 894 CG PHE A 106 10.416 6.144 -0.221 1.00 0.24 C ATOM 895 CD1 PHE A 106 10.154 6.572 -1.514 1.00 0.31 C ATOM 896 CD2 PHE A 106 11.692 5.698 0.088 1.00 0.24 C ATOM 897 CE1 PHE A 106 11.143 6.555 -2.476 1.00 0.37 C ATOM 898 CE2 PHE A 106 12.684 5.679 -0.873 1.00 0.31 C ATOM 899 CZ PHE A 106 12.411 6.109 -2.156 1.00 0.36 C ATOM 0 H PHE A 106 10.504 7.632 2.498 1.00 0.20 H new ATOM 0 HA PHE A 106 8.669 8.134 0.309 1.00 0.19 H new ATOM 0 HB2 PHE A 106 9.697 5.645 1.712 1.00 0.19 H new ATOM 0 HB3 PHE A 106 8.483 5.581 0.450 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.165 6.922 -1.771 1.00 0.31 H new ATOM 0 HD2 PHE A 106 11.913 5.362 1.090 1.00 0.24 H new ATOM 0 HE1 PHE A 106 10.926 6.890 -3.479 1.00 0.37 H new ATOM 0 HE2 PHE A 106 13.674 5.328 -0.621 1.00 0.31 H new ATOM 0 HZ PHE A 106 13.186 6.097 -2.908 1.00 0.36 H new ATOM 909 N LEU A 107 7.677 7.528 3.324 1.00 0.14 N ATOM 910 CA LEU A 107 6.573 7.241 4.243 1.00 0.12 C ATOM 911 C LEU A 107 5.319 8.057 3.925 1.00 0.13 C ATOM 912 O LEU A 107 4.228 7.498 3.852 1.00 0.14 O ATOM 913 CB LEU A 107 7.046 7.473 5.689 1.00 0.13 C ATOM 914 CG LEU A 107 5.995 7.324 6.794 1.00 0.13 C ATOM 915 CD1 LEU A 107 5.307 5.983 6.699 1.00 0.12 C ATOM 916 CD2 LEU A 107 6.653 7.457 8.153 1.00 0.15 C ATOM 0 H LEU A 107 8.541 7.802 3.791 1.00 0.14 H new ATOM 0 HA LEU A 107 6.287 6.197 4.119 1.00 0.12 H new ATOM 0 HB2 LEU A 107 7.858 6.776 5.896 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.465 8.477 5.752 1.00 0.13 H new ATOM 0 HG LEU A 107 5.251 8.111 6.668 1.00 0.13 H new ATOM 0 HD11 LEU A 107 4.565 5.898 7.493 1.00 0.12 H new ATOM 0 HD12 LEU A 107 4.815 5.894 5.731 1.00 0.12 H new ATOM 0 HD13 LEU A 107 6.044 5.187 6.805 1.00 0.12 H new ATOM 0 HD21 LEU A 107 5.900 7.350 8.934 1.00 0.15 H new ATOM 0 HD22 LEU A 107 7.409 6.680 8.269 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.124 8.437 8.235 1.00 0.15 H new ATOM 928 N ASP A 108 5.467 9.357 3.711 1.00 0.17 N ATOM 929 CA ASP A 108 4.313 10.193 3.385 1.00 0.19 C ATOM 930 C ASP A 108 3.706 9.788 2.045 1.00 0.17 C ATOM 931 O ASP A 108 2.493 9.672 1.917 1.00 0.18 O ATOM 932 CB ASP A 108 4.695 11.675 3.365 1.00 0.28 C ATOM 933 CG ASP A 108 3.584 12.563 2.825 1.00 0.94 C ATOM 934 OD1 ASP A 108 2.580 12.764 3.545 1.00 0.96 O ATOM 935 OD2 ASP A 108 3.704 13.057 1.686 1.00 1.63 O ATOM 0 H ASP A 108 6.358 9.852 3.755 1.00 0.17 H new ATOM 0 HA ASP A 108 3.566 10.040 4.164 1.00 0.19 H new ATOM 0 HB2 ASP A 108 4.950 11.994 4.376 1.00 0.28 H new ATOM 0 HB3 ASP A 108 5.588 11.807 2.755 1.00 0.28 H new ATOM 940 N GLN A 109 4.564 9.537 1.064 1.00 0.20 N ATOM 941 CA GLN A 109 4.127 9.170 -0.278 1.00 0.20 C ATOM 942 C GLN A 109 3.259 7.915 -0.249 1.00 0.17 C ATOM 943 O GLN A 109 2.125 7.916 -0.737 1.00 0.19 O ATOM 944 CB GLN A 109 5.360 8.954 -1.161 1.00 0.26 C ATOM 945 CG GLN A 109 5.095 8.126 -2.403 1.00 0.43 C ATOM 946 CD GLN A 109 6.364 7.797 -3.166 1.00 0.47 C ATOM 947 OE1 GLN A 109 7.332 8.561 -3.154 1.00 0.86 O ATOM 948 NE2 GLN A 109 6.366 6.656 -3.838 1.00 0.53 N ATOM 0 H GLN A 109 5.577 9.582 1.175 1.00 0.20 H new ATOM 0 HA GLN A 109 3.520 9.976 -0.689 1.00 0.20 H new ATOM 0 HB2 GLN A 109 5.753 9.925 -1.462 1.00 0.26 H new ATOM 0 HB3 GLN A 109 6.135 8.466 -0.571 1.00 0.26 H new ATOM 0 HG2 GLN A 109 4.596 7.200 -2.118 1.00 0.43 H new ATOM 0 HG3 GLN A 109 4.412 8.668 -3.057 1.00 0.43 H new ATOM 0 HE21 GLN A 109 5.544 6.053 -3.821 1.00 0.53 H new ATOM 0 HE22 GLN A 109 7.190 6.380 -4.372 1.00 0.53 H new ATOM 957 N VAL A 110 3.785 6.856 0.348 1.00 0.14 N ATOM 958 CA VAL A 110 3.066 5.597 0.433 1.00 0.14 C ATOM 959 C VAL A 110 1.817 5.731 1.299 1.00 0.13 C ATOM 960 O VAL A 110 0.750 5.242 0.937 1.00 0.15 O ATOM 961 CB VAL A 110 3.960 4.459 0.973 1.00 0.13 C ATOM 962 CG1 VAL A 110 4.729 3.817 -0.150 1.00 0.16 C ATOM 963 CG2 VAL A 110 4.935 4.963 2.008 1.00 0.14 C ATOM 0 H VAL A 110 4.709 6.845 0.781 1.00 0.14 H new ATOM 0 HA VAL A 110 2.764 5.339 -0.582 1.00 0.14 H new ATOM 0 HB VAL A 110 3.302 3.726 1.439 1.00 0.13 H new ATOM 0 HG11 VAL A 110 5.354 3.017 0.248 1.00 0.16 H new ATOM 0 HG12 VAL A 110 4.032 3.404 -0.879 1.00 0.16 H new ATOM 0 HG13 VAL A 110 5.359 4.564 -0.633 1.00 0.16 H new ATOM 0 HG21 VAL A 110 5.547 4.135 2.365 1.00 0.14 H new ATOM 0 HG22 VAL A 110 5.577 5.723 1.563 1.00 0.14 H new ATOM 0 HG23 VAL A 110 4.386 5.396 2.845 1.00 0.14 H new ATOM 973 N ALA A 111 1.951 6.421 2.426 1.00 0.11 N ATOM 974 CA ALA A 111 0.847 6.576 3.368 1.00 0.10 C ATOM 975 C ALA A 111 -0.290 7.402 2.775 1.00 0.10 C ATOM 976 O ALA A 111 -1.460 7.100 2.994 1.00 0.10 O ATOM 977 CB ALA A 111 1.331 7.202 4.663 1.00 0.10 C ATOM 0 H ALA A 111 2.815 6.883 2.711 1.00 0.11 H new ATOM 0 HA ALA A 111 0.459 5.580 3.581 1.00 0.10 H new ATOM 0 HB1 ALA A 111 0.492 7.309 5.351 1.00 0.10 H new ATOM 0 HB2 ALA A 111 2.091 6.564 5.114 1.00 0.10 H new ATOM 0 HB3 ALA A 111 1.757 8.184 4.456 1.00 0.10 H new ATOM 983 N LYS A 112 0.056 8.441 2.029 1.00 0.13 N ATOM 984 CA LYS A 112 -0.946 9.292 1.405 1.00 0.16 C ATOM 985 C LYS A 112 -1.705 8.544 0.319 1.00 0.17 C ATOM 986 O LYS A 112 -2.907 8.746 0.151 1.00 0.20 O ATOM 987 CB LYS A 112 -0.306 10.567 0.850 1.00 0.20 C ATOM 988 CG LYS A 112 0.065 11.555 1.942 1.00 0.32 C ATOM 989 CD LYS A 112 -1.167 12.057 2.671 1.00 0.56 C ATOM 990 CE LYS A 112 -0.798 12.893 3.885 1.00 0.97 C ATOM 991 NZ LYS A 112 0.128 14.005 3.535 1.00 1.37 N ATOM 0 H LYS A 112 1.021 8.714 1.841 1.00 0.13 H new ATOM 0 HA LYS A 112 -1.665 9.580 2.171 1.00 0.16 H new ATOM 0 HB2 LYS A 112 0.587 10.304 0.284 1.00 0.20 H new ATOM 0 HB3 LYS A 112 -0.996 11.043 0.154 1.00 0.20 H new ATOM 0 HG2 LYS A 112 0.742 11.079 2.652 1.00 0.32 H new ATOM 0 HG3 LYS A 112 0.601 12.398 1.506 1.00 0.32 H new ATOM 0 HD2 LYS A 112 -1.776 12.652 1.990 1.00 0.56 H new ATOM 0 HD3 LYS A 112 -1.776 11.209 2.984 1.00 0.56 H new ATOM 0 HE2 LYS A 112 -1.704 13.302 4.332 1.00 0.97 H new ATOM 0 HE3 LYS A 112 -0.332 12.256 4.636 1.00 0.97 H new ATOM 0 HZ1 LYS A 112 -0.007 14.792 4.201 1.00 1.37 H new ATOM 0 HZ2 LYS A 112 1.111 13.669 3.590 1.00 1.37 H new ATOM 0 HZ3 LYS A 112 -0.072 14.332 2.568 1.00 1.37 H new ATOM 1005 N PHE A 113 -1.016 7.666 -0.402 1.00 0.19 N ATOM 1006 CA PHE A 113 -1.687 6.835 -1.388 1.00 0.21 C ATOM 1007 C PHE A 113 -2.595 5.837 -0.673 1.00 0.20 C ATOM 1008 O PHE A 113 -3.727 5.594 -1.100 1.00 0.23 O ATOM 1009 CB PHE A 113 -0.683 6.104 -2.284 1.00 0.25 C ATOM 1010 CG PHE A 113 -1.284 5.694 -3.598 1.00 0.32 C ATOM 1011 CD1 PHE A 113 -2.115 4.589 -3.681 1.00 0.35 C ATOM 1012 CD2 PHE A 113 -1.037 6.428 -4.745 1.00 0.37 C ATOM 1013 CE1 PHE A 113 -2.687 4.222 -4.885 1.00 0.43 C ATOM 1014 CE2 PHE A 113 -1.604 6.066 -5.954 1.00 0.45 C ATOM 1015 CZ PHE A 113 -2.432 4.962 -6.023 1.00 0.47 C ATOM 0 H PHE A 113 -0.010 7.514 -0.323 1.00 0.19 H new ATOM 0 HA PHE A 113 -2.287 7.477 -2.033 1.00 0.21 H new ATOM 0 HB2 PHE A 113 0.176 6.750 -2.466 1.00 0.25 H new ATOM 0 HB3 PHE A 113 -0.313 5.220 -1.765 1.00 0.25 H new ATOM 0 HD1 PHE A 113 -2.319 4.007 -2.794 1.00 0.35 H new ATOM 0 HD2 PHE A 113 -0.394 7.294 -4.696 1.00 0.37 H new ATOM 0 HE1 PHE A 113 -3.333 3.358 -4.936 1.00 0.43 H new ATOM 0 HE2 PHE A 113 -1.400 6.645 -6.842 1.00 0.45 H new ATOM 0 HZ PHE A 113 -2.879 4.678 -6.964 1.00 0.47 H new ATOM 1025 N ILE A 114 -2.086 5.273 0.423 1.00 0.18 N ATOM 1026 CA ILE A 114 -2.882 4.434 1.304 1.00 0.18 C ATOM 1027 C ILE A 114 -4.186 5.128 1.664 1.00 0.17 C ATOM 1028 O ILE A 114 -5.273 4.578 1.481 1.00 0.21 O ATOM 1029 CB ILE A 114 -2.110 4.134 2.596 1.00 0.16 C ATOM 1030 CG1 ILE A 114 -1.048 3.073 2.342 1.00 0.19 C ATOM 1031 CG2 ILE A 114 -3.061 3.687 3.688 1.00 0.18 C ATOM 1032 CD1 ILE A 114 0.090 3.137 3.324 1.00 0.17 C ATOM 0 H ILE A 114 -1.117 5.387 0.719 1.00 0.18 H new ATOM 0 HA ILE A 114 -3.096 3.503 0.779 1.00 0.18 H new ATOM 0 HB ILE A 114 -1.614 5.047 2.926 1.00 0.16 H new ATOM 0 HG12 ILE A 114 -1.508 2.086 2.391 1.00 0.19 H new ATOM 0 HG13 ILE A 114 -0.657 3.192 1.332 1.00 0.19 H new ATOM 0 HG21 ILE A 114 -2.498 3.478 4.598 1.00 0.18 H new ATOM 0 HG22 ILE A 114 -3.787 4.476 3.884 1.00 0.18 H new ATOM 0 HG23 ILE A 114 -3.583 2.785 3.369 1.00 0.18 H new ATOM 0 HD11 ILE A 114 0.815 2.357 3.092 1.00 0.17 H new ATOM 0 HD12 ILE A 114 0.573 4.112 3.258 1.00 0.17 H new ATOM 0 HD13 ILE A 114 -0.292 2.989 4.334 1.00 0.17 H new ATOM 1044 N ILE A 115 -4.054 6.343 2.180 1.00 0.14 N ATOM 1045 CA ILE A 115 -5.196 7.146 2.561 1.00 0.17 C ATOM 1046 C ILE A 115 -6.145 7.341 1.389 1.00 0.21 C ATOM 1047 O ILE A 115 -7.324 7.052 1.500 1.00 0.30 O ATOM 1048 CB ILE A 115 -4.751 8.513 3.117 1.00 0.19 C ATOM 1049 CG1 ILE A 115 -4.096 8.324 4.482 1.00 0.18 C ATOM 1050 CG2 ILE A 115 -5.931 9.470 3.216 1.00 0.30 C ATOM 1051 CD1 ILE A 115 -3.294 9.520 4.946 1.00 0.22 C ATOM 0 H ILE A 115 -3.154 6.793 2.344 1.00 0.14 H new ATOM 0 HA ILE A 115 -5.726 6.609 3.347 1.00 0.17 H new ATOM 0 HB ILE A 115 -4.025 8.950 2.432 1.00 0.19 H new ATOM 0 HG12 ILE A 115 -4.870 8.109 5.219 1.00 0.18 H new ATOM 0 HG13 ILE A 115 -3.442 7.453 4.443 1.00 0.18 H new ATOM 0 HG21 ILE A 115 -5.591 10.427 3.611 1.00 0.30 H new ATOM 0 HG22 ILE A 115 -6.363 9.619 2.226 1.00 0.30 H new ATOM 0 HG23 ILE A 115 -6.685 9.050 3.882 1.00 0.30 H new ATOM 0 HD11 ILE A 115 -2.860 9.310 5.923 1.00 0.22 H new ATOM 0 HD12 ILE A 115 -2.497 9.723 4.231 1.00 0.22 H new ATOM 0 HD13 ILE A 115 -3.947 10.390 5.019 1.00 0.22 H new ATOM 1063 N ASP A 116 -5.612 7.787 0.262 1.00 0.21 N ATOM 1064 CA ASP A 116 -6.428 8.109 -0.912 1.00 0.31 C ATOM 1065 C ASP A 116 -7.185 6.880 -1.430 1.00 0.32 C ATOM 1066 O ASP A 116 -8.153 7.005 -2.177 1.00 0.44 O ATOM 1067 CB ASP A 116 -5.543 8.690 -2.019 1.00 0.43 C ATOM 1068 CG ASP A 116 -6.339 9.337 -3.140 1.00 0.90 C ATOM 1069 OD1 ASP A 116 -6.785 10.494 -2.964 1.00 1.43 O ATOM 1070 OD2 ASP A 116 -6.482 8.717 -4.215 1.00 1.21 O ATOM 0 H ASP A 116 -4.612 7.937 0.129 1.00 0.21 H new ATOM 0 HA ASP A 116 -7.169 8.851 -0.612 1.00 0.31 H new ATOM 0 HB2 ASP A 116 -4.869 9.429 -1.587 1.00 0.43 H new ATOM 0 HB3 ASP A 116 -4.922 7.896 -2.434 1.00 0.43 H new ATOM 1075 N ASN A 117 -6.727 5.689 -1.054 1.00 0.29 N ATOM 1076 CA ASN A 117 -7.411 4.451 -1.428 1.00 0.37 C ATOM 1077 C ASN A 117 -8.773 4.345 -0.738 1.00 0.42 C ATOM 1078 O ASN A 117 -9.759 3.938 -1.353 1.00 0.59 O ATOM 1079 CB ASN A 117 -6.544 3.230 -1.086 1.00 0.38 C ATOM 1080 CG ASN A 117 -7.176 1.918 -1.522 1.00 0.49 C ATOM 1081 OD1 ASN A 117 -6.988 1.474 -2.655 1.00 0.61 O ATOM 1082 ND2 ASN A 117 -7.912 1.279 -0.623 1.00 0.49 N ATOM 0 H ASN A 117 -5.887 5.553 -0.492 1.00 0.29 H new ATOM 0 HA ASN A 117 -7.576 4.472 -2.505 1.00 0.37 H new ATOM 0 HB2 ASN A 117 -5.570 3.336 -1.565 1.00 0.38 H new ATOM 0 HB3 ASN A 117 -6.369 3.204 -0.010 1.00 0.38 H new ATOM 0 HD21 ASN A 117 -8.346 0.387 -0.860 1.00 0.49 H new ATOM 0 HD22 ASN A 117 -8.044 1.680 0.306 1.00 0.49 H new ATOM 1089 N THR A 118 -8.825 4.711 0.536 1.00 0.36 N ATOM 1090 CA THR A 118 -10.062 4.652 1.309 1.00 0.45 C ATOM 1091 C THR A 118 -10.728 6.028 1.392 1.00 0.48 C ATOM 1092 O THR A 118 -11.958 6.145 1.426 1.00 0.87 O ATOM 1093 CB THR A 118 -9.785 4.116 2.724 1.00 0.52 C ATOM 1094 OG1 THR A 118 -8.536 4.641 3.199 1.00 0.51 O ATOM 1095 CG2 THR A 118 -9.737 2.594 2.732 1.00 0.66 C ATOM 0 H THR A 118 -8.020 5.054 1.060 1.00 0.36 H new ATOM 0 HA THR A 118 -10.744 3.972 0.798 1.00 0.45 H new ATOM 0 HB THR A 118 -10.595 4.436 3.379 1.00 0.52 H new ATOM 0 HG1 THR A 118 -8.360 4.301 4.101 1.00 0.51 H new ATOM 0 HG21 THR A 118 -9.540 2.242 3.744 1.00 0.66 H new ATOM 0 HG22 THR A 118 -10.693 2.198 2.390 1.00 0.66 H new ATOM 0 HG23 THR A 118 -8.944 2.251 2.068 1.00 0.66 H new ATOM 1103 N LYS A 119 -9.896 7.057 1.431 1.00 0.36 N ATOM 1104 CA LYS A 119 -10.339 8.443 1.407 1.00 0.37 C ATOM 1105 C LYS A 119 -10.896 8.770 0.027 1.00 0.55 C ATOM 1106 O LYS A 119 -10.512 8.142 -0.957 1.00 1.19 O ATOM 1107 CB LYS A 119 -9.143 9.360 1.750 1.00 0.39 C ATOM 1108 CG LYS A 119 -9.415 10.851 1.625 1.00 0.74 C ATOM 1109 CD LYS A 119 -8.728 11.455 0.407 1.00 0.84 C ATOM 1110 CE LYS A 119 -7.216 11.347 0.492 1.00 0.97 C ATOM 1111 NZ LYS A 119 -6.547 11.915 -0.712 1.00 1.55 N ATOM 0 H LYS A 119 -8.883 6.952 1.481 1.00 0.36 H new ATOM 0 HA LYS A 119 -11.126 8.603 2.144 1.00 0.37 H new ATOM 0 HB2 LYS A 119 -8.825 9.149 2.771 1.00 0.39 H new ATOM 0 HB3 LYS A 119 -8.309 9.103 1.097 1.00 0.39 H new ATOM 0 HG2 LYS A 119 -10.490 11.019 1.556 1.00 0.74 H new ATOM 0 HG3 LYS A 119 -9.070 11.359 2.525 1.00 0.74 H new ATOM 0 HD2 LYS A 119 -9.077 10.949 -0.493 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -9.011 12.503 0.314 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -6.865 11.869 1.382 1.00 0.97 H new ATOM 0 HE3 LYS A 119 -6.933 10.300 0.604 1.00 0.97 H new ATOM 0 HZ1 LYS A 119 -5.636 12.336 -0.437 1.00 1.55 H new ATOM 0 HZ2 LYS A 119 -6.384 11.159 -1.407 1.00 1.55 H new ATOM 0 HZ3 LYS A 119 -7.153 12.647 -1.133 1.00 1.55 H new ATOM 1125 N GLY A 120 -11.821 9.721 -0.033 1.00 1.13 N ATOM 1126 CA GLY A 120 -12.354 10.160 -1.311 1.00 1.33 C ATOM 1127 C GLY A 120 -11.249 10.549 -2.267 1.00 1.62 C ATOM 1128 O GLY A 120 -10.496 11.483 -2.002 1.00 2.09 O ATOM 0 H GLY A 120 -12.212 10.197 0.780 1.00 1.13 H new ATOM 0 HA2 GLY A 120 -12.953 9.362 -1.750 1.00 1.33 H new ATOM 0 HA3 GLY A 120 -13.019 11.010 -1.157 1.00 1.33 H new ATOM 1132 N GLN A 121 -11.157 9.823 -3.370 1.00 2.16 N ATOM 1133 CA GLN A 121 -10.060 9.973 -4.321 1.00 2.71 C ATOM 1134 C GLN A 121 -9.871 11.425 -4.744 1.00 2.44 C ATOM 1135 O GLN A 121 -10.848 12.151 -4.959 1.00 3.00 O ATOM 1136 CB GLN A 121 -10.292 9.084 -5.548 1.00 3.65 C ATOM 1137 CG GLN A 121 -10.163 7.592 -5.263 1.00 4.49 C ATOM 1138 CD GLN A 121 -11.266 7.045 -4.370 1.00 5.40 C ATOM 1139 OE1 GLN A 121 -12.404 7.518 -4.400 1.00 5.92 O ATOM 1140 NE2 GLN A 121 -10.934 6.059 -3.552 1.00 5.94 N ATOM 0 H GLN A 121 -11.839 9.112 -3.634 1.00 2.16 H new ATOM 0 HA GLN A 121 -9.145 9.656 -3.820 1.00 2.71 H new ATOM 0 HB2 GLN A 121 -11.287 9.283 -5.946 1.00 3.65 H new ATOM 0 HB3 GLN A 121 -9.578 9.359 -6.324 1.00 3.65 H new ATOM 0 HG2 GLN A 121 -10.169 7.048 -6.208 1.00 4.49 H new ATOM 0 HG3 GLN A 121 -9.198 7.403 -4.792 1.00 4.49 H new ATOM 0 HE21 GLN A 121 -9.982 5.693 -3.555 1.00 5.94 H new ATOM 0 HE22 GLN A 121 -11.630 5.665 -2.919 1.00 5.94 H new ATOM 1149 N MET A 122 -8.601 11.831 -4.830 1.00 1.98 N ATOM 1150 CA MET A 122 -8.209 13.192 -5.195 1.00 2.42 C ATOM 1151 C MET A 122 -8.439 14.169 -4.044 1.00 2.93 C ATOM 1152 O MET A 122 -7.488 14.671 -3.443 1.00 3.59 O ATOM 1153 CB MET A 122 -8.947 13.665 -6.453 1.00 2.91 C ATOM 1154 CG MET A 122 -8.730 15.136 -6.771 1.00 3.78 C ATOM 1155 SD MET A 122 -9.750 15.714 -8.140 1.00 4.43 S ATOM 1156 CE MET A 122 -9.394 17.472 -8.107 1.00 5.09 C ATOM 0 H MET A 122 -7.809 11.216 -4.646 1.00 1.98 H new ATOM 0 HA MET A 122 -7.141 13.171 -5.412 1.00 2.42 H new ATOM 0 HB2 MET A 122 -8.619 13.066 -7.303 1.00 2.91 H new ATOM 0 HB3 MET A 122 -10.014 13.483 -6.328 1.00 2.91 H new ATOM 0 HG2 MET A 122 -8.950 15.731 -5.884 1.00 3.78 H new ATOM 0 HG3 MET A 122 -7.680 15.300 -7.012 1.00 3.78 H new ATOM 0 HE1 MET A 122 -9.953 17.971 -8.899 1.00 5.09 H new ATOM 0 HE2 MET A 122 -9.686 17.884 -7.141 1.00 5.09 H new ATOM 0 HE3 MET A 122 -8.327 17.630 -8.261 1.00 5.09 H new ATOM 1166 N LEU A 123 -9.699 14.419 -3.730 1.00 3.22 N ATOM 1167 CA LEU A 123 -10.052 15.414 -2.729 1.00 4.12 C ATOM 1168 C LEU A 123 -10.260 14.762 -1.371 1.00 4.02 C ATOM 1169 O LEU A 123 -9.378 14.780 -0.510 1.00 4.70 O ATOM 1170 CB LEU A 123 -11.323 16.158 -3.148 1.00 4.88 C ATOM 1171 CG LEU A 123 -11.757 17.287 -2.215 1.00 5.87 C ATOM 1172 CD1 LEU A 123 -10.732 18.407 -2.216 1.00 6.52 C ATOM 1173 CD2 LEU A 123 -13.126 17.807 -2.621 1.00 6.54 C ATOM 0 H LEU A 123 -10.497 13.946 -4.154 1.00 3.22 H new ATOM 0 HA LEU A 123 -9.230 16.125 -2.651 1.00 4.12 H new ATOM 0 HB2 LEU A 123 -11.170 16.571 -4.145 1.00 4.88 H new ATOM 0 HB3 LEU A 123 -12.138 15.438 -3.223 1.00 4.88 H new ATOM 0 HG LEU A 123 -11.824 16.894 -1.201 1.00 5.87 H new ATOM 0 HD11 LEU A 123 -11.060 19.201 -1.545 1.00 6.52 H new ATOM 0 HD12 LEU A 123 -9.771 18.021 -1.878 1.00 6.52 H new ATOM 0 HD13 LEU A 123 -10.628 18.805 -3.226 1.00 6.52 H new ATOM 0 HD21 LEU A 123 -13.424 18.611 -1.948 1.00 6.54 H new ATOM 0 HD22 LEU A 123 -13.083 18.185 -3.642 1.00 6.54 H new ATOM 0 HD23 LEU A 123 -13.854 16.998 -2.564 1.00 6.54 H new ATOM 1185 N GLY A 124 -11.428 14.172 -1.203 1.00 3.47 N ATOM 1186 CA GLY A 124 -11.763 13.517 0.039 1.00 3.55 C ATOM 1187 C GLY A 124 -13.258 13.403 0.213 1.00 3.60 C ATOM 1188 O GLY A 124 -14.018 13.887 -0.627 1.00 4.13 O ATOM 0 H GLY A 124 -12.159 14.135 -1.914 1.00 3.47 H new ATOM 0 HA2 GLY A 124 -11.315 12.523 0.061 1.00 3.55 H new ATOM 0 HA3 GLY A 124 -11.339 14.076 0.873 1.00 3.55 H new ATOM 1192 N LEU A 125 -13.683 12.742 1.277 1.00 3.52 N ATOM 1193 CA LEU A 125 -15.096 12.640 1.597 1.00 4.14 C ATOM 1194 C LEU A 125 -15.349 13.112 3.019 1.00 4.84 C ATOM 1195 O LEU A 125 -14.456 13.652 3.677 1.00 5.10 O ATOM 1196 CB LEU A 125 -15.598 11.203 1.445 1.00 4.72 C ATOM 1197 CG LEU A 125 -15.581 10.637 0.025 1.00 4.91 C ATOM 1198 CD1 LEU A 125 -16.109 9.215 0.032 1.00 5.60 C ATOM 1199 CD2 LEU A 125 -16.409 11.505 -0.915 1.00 5.61 C ATOM 0 H LEU A 125 -13.066 12.266 1.936 1.00 3.52 H new ATOM 0 HA LEU A 125 -15.639 13.275 0.897 1.00 4.14 H new ATOM 0 HB2 LEU A 125 -14.991 10.558 2.080 1.00 4.72 H new ATOM 0 HB3 LEU A 125 -16.619 11.153 1.823 1.00 4.72 H new ATOM 0 HG LEU A 125 -14.552 10.634 -0.336 1.00 4.91 H new ATOM 0 HD11 LEU A 125 -16.095 8.817 -0.982 1.00 5.60 H new ATOM 0 HD12 LEU A 125 -15.481 8.597 0.674 1.00 5.60 H new ATOM 0 HD13 LEU A 125 -17.131 9.208 0.410 1.00 5.60 H new ATOM 0 HD21 LEU A 125 -16.382 11.082 -1.919 1.00 5.61 H new ATOM 0 HD22 LEU A 125 -17.440 11.540 -0.564 1.00 5.61 H new ATOM 0 HD23 LEU A 125 -15.998 12.514 -0.935 1.00 5.61 H new ATOM 1211 N GLY A 126 -16.561 12.879 3.491 1.00 5.52 N ATOM 1212 CA GLY A 126 -16.946 13.310 4.817 1.00 6.43 C ATOM 1213 C GLY A 126 -18.394 12.992 5.096 1.00 7.04 C ATOM 1214 O GLY A 126 -19.292 13.635 4.555 1.00 7.19 O ATOM 0 H GLY A 126 -17.293 12.393 2.973 1.00 5.52 H new ATOM 0 HA2 GLY A 126 -16.314 12.821 5.559 1.00 6.43 H new ATOM 0 HA3 GLY A 126 -16.781 14.383 4.915 1.00 6.43 H new ATOM 1218 N ASN A 127 -18.626 11.983 5.917 1.00 7.66 N ATOM 1219 CA ASN A 127 -19.981 11.536 6.210 1.00 8.46 C ATOM 1220 C ASN A 127 -20.292 11.695 7.699 1.00 9.17 C ATOM 1221 O ASN A 127 -19.926 10.844 8.511 1.00 9.63 O ATOM 1222 CB ASN A 127 -20.148 10.076 5.778 1.00 8.87 C ATOM 1223 CG ASN A 127 -21.555 9.547 5.994 1.00 9.56 C ATOM 1224 OD1 ASN A 127 -22.534 10.291 5.942 1.00 9.78 O ATOM 1225 ND2 ASN A 127 -21.658 8.250 6.233 1.00 10.13 N ATOM 0 H ASN A 127 -17.895 11.456 6.394 1.00 7.66 H new ATOM 0 HA ASN A 127 -20.685 12.154 5.652 1.00 8.46 H new ATOM 0 HB2 ASN A 127 -19.890 9.984 4.723 1.00 8.87 H new ATOM 0 HB3 ASN A 127 -19.444 9.456 6.334 1.00 8.87 H new ATOM 0 HD21 ASN A 127 -22.576 7.830 6.383 1.00 10.13 H new ATOM 0 HD22 ASN A 127 -20.820 7.670 6.267 1.00 10.13 H new ATOM 1232 N PRO A 128 -20.956 12.802 8.073 1.00 9.47 N ATOM 1233 CA PRO A 128 -21.340 13.083 9.456 1.00 10.33 C ATOM 1234 C PRO A 128 -22.567 12.285 9.880 1.00 11.23 C ATOM 1235 O PRO A 128 -23.686 12.635 9.450 1.00 11.71 O ATOM 1236 CB PRO A 128 -21.654 14.590 9.457 1.00 10.58 C ATOM 1237 CG PRO A 128 -21.327 15.080 8.082 1.00 9.76 C ATOM 1238 CD PRO A 128 -21.379 13.882 7.182 1.00 9.24 C ATOM 1239 OXT PRO A 128 -22.410 11.297 10.624 1.00 11.59 O ATOM 0 HA PRO A 128 -20.554 12.806 10.158 1.00 10.33 H new ATOM 0 HB2 PRO A 128 -22.702 14.770 9.696 1.00 10.58 H new ATOM 0 HB3 PRO A 128 -21.061 15.112 10.208 1.00 10.58 H new ATOM 0 HG2 PRO A 128 -22.040 15.839 7.760 1.00 9.76 H new ATOM 0 HG3 PRO A 128 -20.339 15.541 8.059 1.00 9.76 H new ATOM 0 HD2 PRO A 128 -22.381 13.714 6.787 1.00 9.24 H new ATOM 0 HD3 PRO A 128 -20.712 13.987 6.326 1.00 9.24 H new TER 1247 PRO A 128