USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 954 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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-7.2!) USER MOD Set 2.1: A 51 ASN : amide:sc=-0.00686 X(o=-0.033,f=0) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -150:sc= -0.0258 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 18 SER OG : rot -148:sc= 0.41 USER MOD Single : A 22 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.66) USER MOD Single : A 23 THR OG1 : rot -110:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= 0.286 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -45:sc= 0.911 USER MOD Single : A 37 SER OG : rot 109:sc= -0.0277 USER MOD Single : A 43 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.71) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0588 USER MOD Single : A 48 CYS SG : rot -108:sc= 0.123 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0925 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 130:sc= -0.531 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.234 K(o=-0.23,f=-0.8) USER MOD Single : A 73 TYR OH : rot 21:sc= 0.205 USER MOD Single : A 78 LYS NZ :NH3+ -166:sc=-0.000111 (180deg=-0.0809) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -73:sc= 0.0544 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 164:sc= -0.0978 (180deg=-0.47) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -2.51 F(o=-5.8!,f=-2.5) USER MOD Single : A 100 TYR OH : rot 150:sc= -0.0164 USER MOD Single : A 101 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.68) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 109 GLN : amide:sc= -0.0662 K(o=-0.066,f=-1) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.48) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0553 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 18:sc= 1.15 USER MOD Single : A 124 SER OG : rot 14:sc= 1.09 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.526 -25.260 -18.656 1.00 0.00 N ATOM 2 CA GLY A 1 -17.262 -23.878 -19.011 1.00 0.00 C ATOM 3 C GLY A 1 -18.133 -22.905 -18.241 1.00 0.00 C ATOM 4 O GLY A 1 -19.359 -22.949 -18.337 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.906 -25.885 -19.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.342 -25.399 -17.642 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.520 -25.488 -18.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.213 -23.651 -18.820 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.428 -23.742 -20.080 1.00 0.00 H new ATOM 8 N SER A 2 -17.498 -22.025 -17.473 1.00 0.00 N ATOM 9 CA SER A 2 -18.223 -21.040 -16.679 1.00 0.00 C ATOM 10 C SER A 2 -18.501 -19.782 -17.495 1.00 0.00 C ATOM 11 O SER A 2 -17.747 -19.440 -18.406 1.00 0.00 O ATOM 12 CB SER A 2 -17.428 -20.682 -15.422 1.00 0.00 C ATOM 13 OG SER A 2 -18.205 -19.898 -14.533 1.00 0.00 O ATOM 0 H SER A 2 -16.483 -21.974 -17.384 1.00 0.00 H new ATOM 0 HA SER A 2 -19.177 -21.478 -16.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.105 -21.594 -14.920 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.527 -20.136 -15.701 1.00 0.00 H new ATOM 0 HG SER A 2 -17.675 -19.684 -13.737 1.00 0.00 H new ATOM 19 N SER A 3 -19.590 -19.096 -17.162 1.00 0.00 N ATOM 20 CA SER A 3 -19.971 -17.877 -17.865 1.00 0.00 C ATOM 21 C SER A 3 -19.470 -16.642 -17.122 1.00 0.00 C ATOM 22 O SER A 3 -19.968 -16.305 -16.049 1.00 0.00 O ATOM 23 CB SER A 3 -21.491 -17.809 -18.025 1.00 0.00 C ATOM 24 OG SER A 3 -21.960 -18.835 -18.883 1.00 0.00 O ATOM 0 H SER A 3 -20.224 -19.364 -16.409 1.00 0.00 H new ATOM 0 HA SER A 3 -19.510 -17.897 -18.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.967 -17.901 -17.049 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.774 -16.836 -18.427 1.00 0.00 H new ATOM 0 HG SER A 3 -22.934 -18.771 -18.967 1.00 0.00 H new ATOM 30 N GLY A 4 -18.481 -15.970 -17.703 1.00 0.00 N ATOM 31 CA GLY A 4 -17.929 -14.780 -17.084 1.00 0.00 C ATOM 32 C GLY A 4 -18.978 -13.715 -16.836 1.00 0.00 C ATOM 33 O GLY A 4 -20.171 -14.012 -16.773 1.00 0.00 O ATOM 0 H GLY A 4 -18.052 -16.229 -18.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.460 -15.051 -16.138 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.146 -14.372 -17.723 1.00 0.00 H new ATOM 37 N SER A 5 -18.534 -12.470 -16.692 1.00 0.00 N ATOM 38 CA SER A 5 -19.444 -11.358 -16.444 1.00 0.00 C ATOM 39 C SER A 5 -19.000 -10.112 -17.205 1.00 0.00 C ATOM 40 O SER A 5 -17.891 -10.059 -17.738 1.00 0.00 O ATOM 41 CB SER A 5 -19.516 -11.055 -14.946 1.00 0.00 C ATOM 42 OG SER A 5 -20.725 -10.394 -14.617 1.00 0.00 O ATOM 0 H SER A 5 -17.550 -12.206 -16.743 1.00 0.00 H new ATOM 0 HA SER A 5 -20.434 -11.645 -16.798 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.440 -11.983 -14.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.668 -10.434 -14.656 1.00 0.00 H new ATOM 0 HG SER A 5 -20.747 -10.213 -13.654 1.00 0.00 H new ATOM 48 N SER A 6 -19.874 -9.112 -17.253 1.00 0.00 N ATOM 49 CA SER A 6 -19.574 -7.868 -17.952 1.00 0.00 C ATOM 50 C SER A 6 -20.071 -6.665 -17.156 1.00 0.00 C ATOM 51 O SER A 6 -21.112 -6.725 -16.502 1.00 0.00 O ATOM 52 CB SER A 6 -20.213 -7.873 -19.342 1.00 0.00 C ATOM 53 OG SER A 6 -19.623 -8.860 -20.170 1.00 0.00 O ATOM 0 H SER A 6 -20.795 -9.139 -16.816 1.00 0.00 H new ATOM 0 HA SER A 6 -18.492 -7.791 -18.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.283 -8.060 -19.253 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.098 -6.892 -19.802 1.00 0.00 H new ATOM 0 HG SER A 6 -20.049 -8.844 -21.052 1.00 0.00 H new ATOM 59 N GLY A 7 -19.318 -5.570 -17.217 1.00 0.00 N ATOM 60 CA GLY A 7 -19.697 -4.368 -16.499 1.00 0.00 C ATOM 61 C GLY A 7 -18.719 -3.231 -16.715 1.00 0.00 C ATOM 62 O GLY A 7 -18.921 -2.387 -17.588 1.00 0.00 O ATOM 0 H GLY A 7 -18.452 -5.495 -17.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.690 -4.055 -16.820 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.762 -4.590 -15.434 1.00 0.00 H new ATOM 66 N GLU A 8 -17.656 -3.206 -15.917 1.00 0.00 N ATOM 67 CA GLU A 8 -16.644 -2.162 -16.024 1.00 0.00 C ATOM 68 C GLU A 8 -15.699 -2.438 -17.190 1.00 0.00 C ATOM 69 O GLU A 8 -15.381 -3.590 -17.486 1.00 0.00 O ATOM 70 CB GLU A 8 -15.848 -2.056 -14.722 1.00 0.00 C ATOM 71 CG GLU A 8 -15.167 -3.353 -14.318 1.00 0.00 C ATOM 72 CD GLU A 8 -14.339 -3.208 -13.056 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.846 -2.624 -12.076 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.182 -3.680 -13.050 1.00 0.00 O ATOM 0 H GLU A 8 -17.474 -3.897 -15.189 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.153 -1.216 -16.207 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.093 -1.277 -14.830 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.517 -1.742 -13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.923 -4.124 -14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.526 -3.691 -15.132 1.00 0.00 H new ATOM 81 N ASP A 9 -15.255 -1.373 -17.849 1.00 0.00 N ATOM 82 CA ASP A 9 -14.346 -1.499 -18.982 1.00 0.00 C ATOM 83 C ASP A 9 -12.921 -1.132 -18.579 1.00 0.00 C ATOM 84 O ASP A 9 -12.235 -0.395 -19.288 1.00 0.00 O ATOM 85 CB ASP A 9 -14.809 -0.608 -20.136 1.00 0.00 C ATOM 86 CG ASP A 9 -15.796 -1.309 -21.049 1.00 0.00 C ATOM 87 OD1 ASP A 9 -16.521 -2.203 -20.564 1.00 0.00 O ATOM 88 OD2 ASP A 9 -15.843 -0.964 -22.248 1.00 0.00 O ATOM 0 H ASP A 9 -15.510 -0.413 -17.618 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.355 -2.538 -19.310 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.269 0.294 -19.733 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.943 -0.292 -20.717 1.00 0.00 H new ATOM 93 N TYR A 10 -12.483 -1.649 -17.437 1.00 0.00 N ATOM 94 CA TYR A 10 -11.141 -1.373 -16.938 1.00 0.00 C ATOM 95 C TYR A 10 -10.164 -2.462 -17.370 1.00 0.00 C ATOM 96 O TYR A 10 -9.948 -3.437 -16.651 1.00 0.00 O ATOM 97 CB TYR A 10 -11.154 -1.260 -15.413 1.00 0.00 C ATOM 98 CG TYR A 10 -11.928 -0.066 -14.901 1.00 0.00 C ATOM 99 CD1 TYR A 10 -11.657 1.214 -15.368 1.00 0.00 C ATOM 100 CD2 TYR A 10 -12.930 -0.218 -13.950 1.00 0.00 C ATOM 101 CE1 TYR A 10 -12.361 2.308 -14.903 1.00 0.00 C ATOM 102 CE2 TYR A 10 -13.639 0.870 -13.480 1.00 0.00 C ATOM 103 CZ TYR A 10 -13.351 2.131 -13.960 1.00 0.00 C ATOM 104 OH TYR A 10 -14.055 3.217 -13.493 1.00 0.00 O ATOM 0 H TYR A 10 -13.038 -2.262 -16.839 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.811 -0.425 -17.363 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.585 -2.169 -14.993 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.127 -1.198 -15.053 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.883 1.356 -16.107 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -13.158 -1.204 -13.572 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.137 3.296 -15.276 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -14.415 0.734 -12.741 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.717 2.919 -12.834 1.00 0.00 H new ATOM 114 N GLU A 11 -9.576 -2.288 -18.550 1.00 0.00 N ATOM 115 CA GLU A 11 -8.622 -3.256 -19.078 1.00 0.00 C ATOM 116 C GLU A 11 -7.292 -2.584 -19.409 1.00 0.00 C ATOM 117 O GLU A 11 -7.258 -1.452 -19.890 1.00 0.00 O ATOM 118 CB GLU A 11 -9.189 -3.933 -20.328 1.00 0.00 C ATOM 119 CG GLU A 11 -9.245 -3.021 -21.542 1.00 0.00 C ATOM 120 CD GLU A 11 -10.409 -2.052 -21.490 1.00 0.00 C ATOM 121 OE1 GLU A 11 -10.303 -1.034 -20.774 1.00 0.00 O ATOM 122 OE2 GLU A 11 -11.427 -2.311 -22.166 1.00 0.00 O ATOM 0 H GLU A 11 -9.744 -1.486 -19.158 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.447 -4.011 -18.312 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.580 -4.805 -20.567 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.193 -4.296 -20.110 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.313 -2.460 -21.614 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.322 -3.628 -22.444 1.00 0.00 H new ATOM 129 N LYS A 12 -6.198 -3.291 -19.146 1.00 0.00 N ATOM 130 CA LYS A 12 -4.865 -2.766 -19.415 1.00 0.00 C ATOM 131 C LYS A 12 -4.623 -1.474 -18.642 1.00 0.00 C ATOM 132 O LYS A 12 -3.878 -0.601 -19.089 1.00 0.00 O ATOM 133 CB LYS A 12 -4.685 -2.517 -20.914 1.00 0.00 C ATOM 134 CG LYS A 12 -4.342 -3.770 -21.701 1.00 0.00 C ATOM 135 CD LYS A 12 -3.885 -3.435 -23.111 1.00 0.00 C ATOM 136 CE LYS A 12 -2.437 -2.968 -23.132 1.00 0.00 C ATOM 137 NZ LYS A 12 -2.132 -2.159 -24.344 1.00 0.00 N ATOM 0 H LYS A 12 -6.209 -4.230 -18.747 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.137 -3.507 -19.086 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.602 -2.086 -21.315 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.896 -1.779 -21.059 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.557 -4.322 -21.184 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.214 -4.423 -21.745 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.995 -4.313 -23.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.525 -2.657 -23.527 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.234 -2.376 -22.240 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.776 -3.834 -23.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.136 -1.860 -24.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.302 -2.732 -25.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.745 -1.319 -24.364 1.00 0.00 H new ATOM 151 N VAL A 13 -5.256 -1.357 -17.479 1.00 0.00 N ATOM 152 CA VAL A 13 -5.107 -0.172 -16.642 1.00 0.00 C ATOM 153 C VAL A 13 -3.910 -0.307 -15.708 1.00 0.00 C ATOM 154 O VAL A 13 -3.609 -1.384 -15.194 1.00 0.00 O ATOM 155 CB VAL A 13 -6.373 0.085 -15.804 1.00 0.00 C ATOM 156 CG1 VAL A 13 -7.575 0.310 -16.707 1.00 0.00 C ATOM 157 CG2 VAL A 13 -6.622 -1.071 -14.848 1.00 0.00 C ATOM 0 H VAL A 13 -5.877 -2.069 -17.095 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.947 0.672 -17.313 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.220 0.988 -15.213 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.460 0.490 -16.097 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.393 1.174 -17.346 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.735 -0.572 -17.327 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.520 -0.873 -14.264 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.755 -1.991 -15.417 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.769 -1.179 -14.177 1.00 0.00 H new ATOM 167 N PRO A 14 -3.208 0.814 -15.480 1.00 0.00 N ATOM 168 CA PRO A 14 -2.033 0.848 -14.605 1.00 0.00 C ATOM 169 C PRO A 14 -2.398 0.661 -13.136 1.00 0.00 C ATOM 170 O PRO A 14 -1.841 -0.199 -12.452 1.00 0.00 O ATOM 171 CB PRO A 14 -1.457 2.247 -14.839 1.00 0.00 C ATOM 172 CG PRO A 14 -2.619 3.066 -15.284 1.00 0.00 C ATOM 173 CD PRO A 14 -3.509 2.134 -16.059 1.00 0.00 C ATOM 0 HA PRO A 14 -1.335 0.041 -14.829 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.014 2.650 -13.928 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.672 2.230 -15.595 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.147 3.490 -14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.293 3.901 -15.904 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.561 2.393 -15.942 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.290 2.164 -17.126 1.00 0.00 H new ATOM 181 N LEU A 15 -3.336 1.470 -12.657 1.00 0.00 N ATOM 182 CA LEU A 15 -3.776 1.394 -11.268 1.00 0.00 C ATOM 183 C LEU A 15 -5.295 1.276 -11.184 1.00 0.00 C ATOM 184 O LEU A 15 -6.025 2.262 -11.283 1.00 0.00 O ATOM 185 CB LEU A 15 -3.305 2.627 -10.495 1.00 0.00 C ATOM 186 CG LEU A 15 -1.951 2.504 -9.796 1.00 0.00 C ATOM 187 CD1 LEU A 15 -2.002 1.434 -8.716 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.856 2.191 -10.807 1.00 0.00 C ATOM 0 H LEU A 15 -3.807 2.186 -13.210 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.335 0.503 -10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.260 3.469 -11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.058 2.870 -9.745 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.720 3.458 -9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.029 1.361 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.758 1.699 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.255 0.474 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.101 2.107 -10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.082 1.250 -11.309 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.802 2.992 -11.545 1.00 0.00 H new ATOM 200 N PRO A 16 -5.783 0.041 -10.994 1.00 0.00 N ATOM 201 CA PRO A 16 -7.219 -0.234 -10.890 1.00 0.00 C ATOM 202 C PRO A 16 -7.821 0.308 -9.598 1.00 0.00 C ATOM 203 O PRO A 16 -7.104 0.586 -8.637 1.00 0.00 O ATOM 204 CB PRO A 16 -7.289 -1.763 -10.911 1.00 0.00 C ATOM 205 CG PRO A 16 -5.963 -2.211 -10.401 1.00 0.00 C ATOM 206 CD PRO A 16 -4.971 -1.180 -10.867 1.00 0.00 C ATOM 0 HA PRO A 16 -7.785 0.244 -11.690 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.100 -2.131 -10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.472 -2.137 -11.918 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.968 -2.285 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.710 -3.199 -10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.160 -1.050 -10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.516 -1.461 -11.817 1.00 0.00 H new ATOM 214 N ASN A 17 -9.142 0.456 -9.582 1.00 0.00 N ATOM 215 CA ASN A 17 -9.840 0.965 -8.407 1.00 0.00 C ATOM 216 C ASN A 17 -10.124 -0.158 -7.414 1.00 0.00 C ATOM 217 O ASN A 17 -11.084 -0.092 -6.645 1.00 0.00 O ATOM 218 CB ASN A 17 -11.149 1.640 -8.819 1.00 0.00 C ATOM 219 CG ASN A 17 -10.920 2.946 -9.557 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.544 2.952 -10.729 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.145 4.060 -8.870 1.00 0.00 N ATOM 0 H ASN A 17 -9.750 0.231 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.197 1.700 -7.923 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.720 0.962 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.752 1.829 -7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.007 4.969 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.456 4.007 -7.900 1.00 0.00 H new ATOM 228 N SER A 18 -9.283 -1.187 -7.436 1.00 0.00 N ATOM 229 CA SER A 18 -9.446 -2.326 -6.540 1.00 0.00 C ATOM 230 C SER A 18 -8.378 -2.316 -5.450 1.00 0.00 C ATOM 231 O SER A 18 -8.645 -2.663 -4.300 1.00 0.00 O ATOM 232 CB SER A 18 -9.376 -3.635 -7.327 1.00 0.00 C ATOM 233 OG SER A 18 -10.532 -3.812 -8.127 1.00 0.00 O ATOM 0 H SER A 18 -8.482 -1.255 -8.064 1.00 0.00 H new ATOM 0 HA SER A 18 -10.425 -2.248 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.489 -3.635 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.276 -4.473 -6.637 1.00 0.00 H new ATOM 0 HG SER A 18 -10.735 -4.768 -8.202 1.00 0.00 H new ATOM 239 N VAL A 19 -7.166 -1.916 -5.822 1.00 0.00 N ATOM 240 CA VAL A 19 -6.056 -1.860 -4.878 1.00 0.00 C ATOM 241 C VAL A 19 -6.297 -0.800 -3.809 1.00 0.00 C ATOM 242 O VAL A 19 -6.056 -1.031 -2.625 1.00 0.00 O ATOM 243 CB VAL A 19 -4.725 -1.560 -5.593 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.394 -2.661 -6.590 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.785 -0.205 -6.282 1.00 0.00 C ATOM 0 H VAL A 19 -6.928 -1.626 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.992 -2.840 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.931 -1.528 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.450 -2.432 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.307 -3.613 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.187 -2.728 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.837 -0.009 -6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.590 -0.206 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.972 0.572 -5.541 1.00 0.00 H new ATOM 255 N PHE A 20 -6.774 0.364 -4.236 1.00 0.00 N ATOM 256 CA PHE A 20 -7.048 1.462 -3.316 1.00 0.00 C ATOM 257 C PHE A 20 -8.173 1.097 -2.353 1.00 0.00 C ATOM 258 O PHE A 20 -9.349 1.122 -2.716 1.00 0.00 O ATOM 259 CB PHE A 20 -7.417 2.727 -4.093 1.00 0.00 C ATOM 260 CG PHE A 20 -6.437 3.072 -5.178 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.512 2.460 -6.419 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.440 4.009 -4.956 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.612 2.776 -7.419 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.537 4.328 -5.953 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.622 3.711 -7.185 1.00 0.00 C ATOM 0 H PHE A 20 -6.979 0.572 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.144 1.651 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.405 2.597 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.486 3.564 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.283 1.727 -6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.368 4.495 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.682 2.293 -8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.765 5.060 -5.768 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.916 3.959 -7.964 1.00 0.00 H new ATOM 275 N VAL A 21 -7.804 0.757 -1.122 1.00 0.00 N ATOM 276 CA VAL A 21 -8.780 0.386 -0.105 1.00 0.00 C ATOM 277 C VAL A 21 -9.071 1.555 0.829 1.00 0.00 C ATOM 278 O VAL A 21 -8.241 2.447 1.001 1.00 0.00 O ATOM 279 CB VAL A 21 -8.295 -0.814 0.728 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.963 -0.501 1.391 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.339 -1.199 1.766 1.00 0.00 C ATOM 0 H VAL A 21 -6.835 0.731 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.694 0.108 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.150 -1.663 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.636 -1.361 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.219 -0.279 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.077 0.361 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.979 -2.049 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.518 -0.355 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.268 -1.469 1.265 1.00 0.00 H new ATOM 291 N ASN A 22 -10.256 1.544 1.432 1.00 0.00 N ATOM 292 CA ASN A 22 -10.657 2.604 2.350 1.00 0.00 C ATOM 293 C ASN A 22 -10.253 2.265 3.781 1.00 0.00 C ATOM 294 O ASN A 22 -10.905 2.685 4.738 1.00 0.00 O ATOM 295 CB ASN A 22 -12.169 2.828 2.274 1.00 0.00 C ATOM 296 CG ASN A 22 -12.620 4.015 3.102 1.00 0.00 C ATOM 297 OD1 ASN A 22 -13.425 3.874 4.023 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.101 5.194 2.778 1.00 0.00 N ATOM 0 H ASN A 22 -10.955 0.813 1.301 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.146 3.520 2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.459 2.982 1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.684 1.931 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.366 6.029 3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.437 5.264 2.007 1.00 0.00 H new ATOM 305 N THR A 23 -9.172 1.504 3.921 1.00 0.00 N ATOM 306 CA THR A 23 -8.681 1.108 5.235 1.00 0.00 C ATOM 307 C THR A 23 -7.437 1.902 5.619 1.00 0.00 C ATOM 308 O THR A 23 -6.630 2.264 4.762 1.00 0.00 O ATOM 309 CB THR A 23 -8.350 -0.396 5.282 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.501 -0.889 6.617 1.00 0.00 O ATOM 311 CG2 THR A 23 -6.931 -0.653 4.798 1.00 0.00 C ATOM 0 H THR A 23 -8.620 1.150 3.140 1.00 0.00 H new ATOM 0 HA THR A 23 -9.479 1.319 5.947 1.00 0.00 H new ATOM 0 HB THR A 23 -9.042 -0.919 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.620 -1.104 6.988 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.720 -1.722 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.828 -0.303 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.227 -0.119 5.436 1.00 0.00 H new ATOM 319 N THR A 24 -7.288 2.170 6.912 1.00 0.00 N ATOM 320 CA THR A 24 -6.143 2.922 7.410 1.00 0.00 C ATOM 321 C THR A 24 -5.326 2.092 8.394 1.00 0.00 C ATOM 322 O THR A 24 -4.679 2.635 9.289 1.00 0.00 O ATOM 323 CB THR A 24 -6.584 4.227 8.098 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.644 3.959 9.023 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.046 5.251 7.072 1.00 0.00 C ATOM 0 H THR A 24 -7.946 1.877 7.634 1.00 0.00 H new ATOM 0 HA THR A 24 -5.526 3.167 6.546 1.00 0.00 H new ATOM 0 HB THR A 24 -5.728 4.636 8.635 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.918 4.794 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.353 6.164 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.228 5.475 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.889 4.849 6.510 1.00 0.00 H new ATOM 333 N GLU A 25 -5.360 0.775 8.221 1.00 0.00 N ATOM 334 CA GLU A 25 -4.622 -0.129 9.096 1.00 0.00 C ATOM 335 C GLU A 25 -3.993 -1.267 8.297 1.00 0.00 C ATOM 336 O GLU A 25 -4.502 -1.656 7.245 1.00 0.00 O ATOM 337 CB GLU A 25 -5.546 -0.698 10.175 1.00 0.00 C ATOM 338 CG GLU A 25 -6.217 0.367 11.025 1.00 0.00 C ATOM 339 CD GLU A 25 -6.623 -0.148 12.392 1.00 0.00 C ATOM 340 OE1 GLU A 25 -7.753 -0.664 12.521 1.00 0.00 O ATOM 341 OE2 GLU A 25 -5.810 -0.036 13.333 1.00 0.00 O ATOM 0 H GLU A 25 -5.890 0.310 7.484 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.825 0.440 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.314 -1.308 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.970 -1.359 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.538 1.211 11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.099 0.739 10.504 1.00 0.00 H new ATOM 348 N SER A 26 -2.884 -1.796 8.803 1.00 0.00 N ATOM 349 CA SER A 26 -2.183 -2.886 8.136 1.00 0.00 C ATOM 350 C SER A 26 -2.808 -4.232 8.489 1.00 0.00 C ATOM 351 O SER A 26 -2.888 -5.131 7.651 1.00 0.00 O ATOM 352 CB SER A 26 -0.703 -2.881 8.523 1.00 0.00 C ATOM 353 OG SER A 26 -0.530 -3.241 9.882 1.00 0.00 O ATOM 0 H SER A 26 -2.451 -1.487 9.673 1.00 0.00 H new ATOM 0 HA SER A 26 -2.271 -2.736 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.155 -3.576 7.887 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.282 -1.891 8.349 1.00 0.00 H new ATOM 0 HG SER A 26 0.425 -3.232 10.104 1.00 0.00 H new ATOM 359 N CYS A 27 -3.250 -4.362 9.735 1.00 0.00 N ATOM 360 CA CYS A 27 -3.868 -5.598 10.202 1.00 0.00 C ATOM 361 C CYS A 27 -5.000 -6.025 9.272 1.00 0.00 C ATOM 362 O CYS A 27 -5.089 -7.188 8.881 1.00 0.00 O ATOM 363 CB CYS A 27 -4.400 -5.421 11.625 1.00 0.00 C ATOM 364 SG CYS A 27 -4.714 -6.975 12.494 1.00 0.00 S ATOM 0 H CYS A 27 -3.192 -3.627 10.440 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.107 -6.379 10.201 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.683 -4.834 12.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.325 -4.845 11.587 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.159 -6.722 13.689 1.00 0.00 H new ATOM 370 N GLU A 28 -5.863 -5.075 8.925 1.00 0.00 N ATOM 371 CA GLU A 28 -6.991 -5.354 8.043 1.00 0.00 C ATOM 372 C GLU A 28 -6.508 -5.836 6.678 1.00 0.00 C ATOM 373 O GLU A 28 -6.889 -6.912 6.216 1.00 0.00 O ATOM 374 CB GLU A 28 -7.859 -4.105 7.878 1.00 0.00 C ATOM 375 CG GLU A 28 -9.008 -4.288 6.901 1.00 0.00 C ATOM 376 CD GLU A 28 -10.135 -5.124 7.475 1.00 0.00 C ATOM 377 OE1 GLU A 28 -9.865 -6.262 7.914 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.286 -4.641 7.485 1.00 0.00 O ATOM 0 H GLU A 28 -5.803 -4.107 9.241 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.588 -6.145 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.262 -3.821 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.233 -3.280 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.396 -3.310 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.636 -4.762 5.993 1.00 0.00 H new ATOM 385 N VAL A 29 -5.667 -5.031 6.037 1.00 0.00 N ATOM 386 CA VAL A 29 -5.131 -5.374 4.725 1.00 0.00 C ATOM 387 C VAL A 29 -4.849 -6.869 4.620 1.00 0.00 C ATOM 388 O VAL A 29 -5.401 -7.555 3.760 1.00 0.00 O ATOM 389 CB VAL A 29 -3.835 -4.597 4.427 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.241 -5.037 3.097 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.099 -3.099 4.433 1.00 0.00 C ATOM 0 H VAL A 29 -5.342 -4.137 6.405 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.889 -5.097 3.992 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.111 -4.819 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.326 -4.477 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.013 -6.102 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.958 -4.848 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.173 -2.565 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.840 -2.857 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.474 -2.800 5.412 1.00 0.00 H new ATOM 401 N GLU A 30 -3.987 -7.366 5.501 1.00 0.00 N ATOM 402 CA GLU A 30 -3.633 -8.781 5.506 1.00 0.00 C ATOM 403 C GLU A 30 -4.881 -9.655 5.437 1.00 0.00 C ATOM 404 O GLU A 30 -4.912 -10.656 4.721 1.00 0.00 O ATOM 405 CB GLU A 30 -2.827 -9.122 6.761 1.00 0.00 C ATOM 406 CG GLU A 30 -2.294 -10.545 6.774 1.00 0.00 C ATOM 407 CD GLU A 30 -1.261 -10.772 7.861 1.00 0.00 C ATOM 408 OE1 GLU A 30 -0.577 -9.799 8.240 1.00 0.00 O ATOM 409 OE2 GLU A 30 -1.138 -11.922 8.332 1.00 0.00 O ATOM 0 H GLU A 30 -3.521 -6.811 6.219 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.023 -8.980 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.990 -8.429 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.455 -8.970 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.123 -11.238 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.851 -10.772 5.804 1.00 0.00 H new ATOM 416 N ARG A 31 -5.909 -9.269 6.186 1.00 0.00 N ATOM 417 CA ARG A 31 -7.160 -10.018 6.212 1.00 0.00 C ATOM 418 C ARG A 31 -7.871 -9.935 4.864 1.00 0.00 C ATOM 419 O ARG A 31 -8.320 -10.947 4.323 1.00 0.00 O ATOM 420 CB ARG A 31 -8.074 -9.487 7.317 1.00 0.00 C ATOM 421 CG ARG A 31 -9.024 -10.533 7.877 1.00 0.00 C ATOM 422 CD ARG A 31 -8.306 -11.490 8.817 1.00 0.00 C ATOM 423 NE ARG A 31 -9.041 -12.740 8.991 1.00 0.00 N ATOM 424 CZ ARG A 31 -10.022 -12.900 9.872 1.00 0.00 C ATOM 425 NH1 ARG A 31 -10.385 -11.893 10.655 1.00 0.00 N ATOM 426 NH2 ARG A 31 -10.643 -14.068 9.971 1.00 0.00 N ATOM 0 H ARG A 31 -5.900 -8.442 6.783 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.925 -11.063 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.460 -9.095 8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.656 -8.652 6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.837 -10.040 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.473 -11.094 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.312 -11.705 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.170 -11.012 9.787 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.787 -13.534 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.911 -10.993 10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.139 -12.018 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.367 -14.845 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.396 -14.189 10.648 1.00 0.00 H new ATOM 440 N LEU A 32 -7.970 -8.724 4.328 1.00 0.00 N ATOM 441 CA LEU A 32 -8.627 -8.508 3.043 1.00 0.00 C ATOM 442 C LEU A 32 -8.033 -9.413 1.969 1.00 0.00 C ATOM 443 O LEU A 32 -8.760 -10.083 1.235 1.00 0.00 O ATOM 444 CB LEU A 32 -8.497 -7.043 2.622 1.00 0.00 C ATOM 445 CG LEU A 32 -8.940 -6.006 3.654 1.00 0.00 C ATOM 446 CD1 LEU A 32 -8.636 -4.599 3.162 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.423 -6.157 3.960 1.00 0.00 C ATOM 0 H LEU A 32 -7.604 -7.877 4.762 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.683 -8.755 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.455 -6.850 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.080 -6.894 1.713 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.381 -6.176 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.958 -3.874 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.564 -4.496 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.168 -4.417 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.720 -5.411 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.999 -6.015 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.613 -7.154 4.357 1.00 0.00 H new ATOM 459 N PHE A 33 -6.707 -9.429 1.882 1.00 0.00 N ATOM 460 CA PHE A 33 -6.015 -10.252 0.898 1.00 0.00 C ATOM 461 C PHE A 33 -6.514 -11.693 0.947 1.00 0.00 C ATOM 462 O PHE A 33 -7.013 -12.224 -0.045 1.00 0.00 O ATOM 463 CB PHE A 33 -4.505 -10.215 1.143 1.00 0.00 C ATOM 464 CG PHE A 33 -3.853 -8.946 0.675 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.600 -7.793 0.494 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.492 -8.905 0.416 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.002 -6.624 0.063 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.889 -7.739 -0.015 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.645 -6.596 -0.191 1.00 0.00 C ATOM 0 H PHE A 33 -6.090 -8.881 2.482 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.226 -9.846 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.315 -10.340 2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.042 -11.061 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.662 -7.808 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.896 -9.795 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.596 -5.733 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.828 -7.721 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.176 -5.683 -0.526 1.00 0.00 H new ATOM 479 N LYS A 34 -6.375 -12.322 2.110 1.00 0.00 N ATOM 480 CA LYS A 34 -6.812 -13.701 2.291 1.00 0.00 C ATOM 481 C LYS A 34 -8.318 -13.827 2.085 1.00 0.00 C ATOM 482 O LYS A 34 -8.801 -14.828 1.557 1.00 0.00 O ATOM 483 CB LYS A 34 -6.435 -14.198 3.689 1.00 0.00 C ATOM 484 CG LYS A 34 -4.945 -14.136 3.974 1.00 0.00 C ATOM 485 CD LYS A 34 -4.668 -13.936 5.455 1.00 0.00 C ATOM 486 CE LYS A 34 -3.176 -13.840 5.736 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.844 -14.268 7.122 1.00 0.00 N ATOM 0 H LYS A 34 -5.963 -11.898 2.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.308 -14.316 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.964 -13.602 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.776 -15.227 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.470 -15.057 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.499 -13.320 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.163 -13.028 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.093 -14.765 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.632 -14.461 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.843 -12.813 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.262 -13.538 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.722 -14.402 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.316 -15.164 7.092 1.00 0.00 H new ATOM 501 N ALA A 35 -9.056 -12.803 2.504 1.00 0.00 N ATOM 502 CA ALA A 35 -10.506 -12.798 2.362 1.00 0.00 C ATOM 503 C ALA A 35 -10.914 -12.868 0.894 1.00 0.00 C ATOM 504 O ALA A 35 -11.829 -13.607 0.527 1.00 0.00 O ATOM 505 CB ALA A 35 -11.096 -11.558 3.017 1.00 0.00 C ATOM 0 H ALA A 35 -8.672 -11.967 2.944 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.899 -13.682 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.180 -11.567 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.842 -11.551 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.689 -10.666 2.541 1.00 0.00 H new ATOM 511 N THR A 36 -10.231 -12.093 0.057 1.00 0.00 N ATOM 512 CA THR A 36 -10.524 -12.066 -1.370 1.00 0.00 C ATOM 513 C THR A 36 -9.763 -13.162 -2.108 1.00 0.00 C ATOM 514 O THR A 36 -9.493 -13.046 -3.303 1.00 0.00 O ATOM 515 CB THR A 36 -10.167 -10.702 -1.991 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.610 -10.652 -3.352 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.667 -10.457 -1.931 1.00 0.00 C ATOM 0 H THR A 36 -9.471 -11.476 0.343 1.00 0.00 H new ATOM 0 HA THR A 36 -11.595 -12.236 -1.476 1.00 0.00 H new ATOM 0 HB THR A 36 -10.670 -9.923 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.365 -11.485 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.439 -9.488 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.338 -10.466 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.148 -11.241 -2.483 1.00 0.00 H new ATOM 525 N SER A 37 -9.422 -14.227 -1.389 1.00 0.00 N ATOM 526 CA SER A 37 -8.690 -15.343 -1.976 1.00 0.00 C ATOM 527 C SER A 37 -9.569 -16.588 -2.054 1.00 0.00 C ATOM 528 O SER A 37 -10.408 -16.841 -1.190 1.00 0.00 O ATOM 529 CB SER A 37 -7.433 -15.643 -1.156 1.00 0.00 C ATOM 530 OG SER A 37 -6.830 -16.856 -1.573 1.00 0.00 O ATOM 0 H SER A 37 -9.641 -14.340 -0.399 1.00 0.00 H new ATOM 0 HA SER A 37 -8.397 -15.062 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.722 -14.824 -1.262 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.691 -15.706 -0.099 1.00 0.00 H new ATOM 0 HG SER A 37 -5.990 -16.661 -2.039 1.00 0.00 H new ATOM 536 N PRO A 38 -9.371 -17.384 -3.115 1.00 0.00 N ATOM 537 CA PRO A 38 -10.135 -18.616 -3.333 1.00 0.00 C ATOM 538 C PRO A 38 -9.779 -19.705 -2.327 1.00 0.00 C ATOM 539 O PRO A 38 -10.657 -20.282 -1.685 1.00 0.00 O ATOM 540 CB PRO A 38 -9.728 -19.040 -4.747 1.00 0.00 C ATOM 541 CG PRO A 38 -8.382 -18.437 -4.950 1.00 0.00 C ATOM 542 CD PRO A 38 -8.388 -17.143 -4.184 1.00 0.00 C ATOM 0 HA PRO A 38 -11.207 -18.458 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.694 -20.125 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.440 -18.678 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.598 -19.102 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.188 -18.263 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.403 -16.911 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.679 -16.304 -4.816 1.00 0.00 H new ATOM 550 N ARG A 39 -8.485 -19.980 -2.193 1.00 0.00 N ATOM 551 CA ARG A 39 -8.013 -21.000 -1.265 1.00 0.00 C ATOM 552 C ARG A 39 -7.745 -20.400 0.112 1.00 0.00 C ATOM 553 O ARG A 39 -7.022 -20.979 0.922 1.00 0.00 O ATOM 554 CB ARG A 39 -6.742 -21.660 -1.802 1.00 0.00 C ATOM 555 CG ARG A 39 -6.954 -22.424 -3.099 1.00 0.00 C ATOM 556 CD ARG A 39 -6.374 -21.674 -4.288 1.00 0.00 C ATOM 557 NE ARG A 39 -7.053 -22.017 -5.535 1.00 0.00 N ATOM 558 CZ ARG A 39 -6.781 -23.107 -6.244 1.00 0.00 C ATOM 559 NH1 ARG A 39 -5.850 -23.955 -5.831 1.00 0.00 N ATOM 560 NH2 ARG A 39 -7.442 -23.350 -7.369 1.00 0.00 N ATOM 0 H ARG A 39 -7.745 -19.510 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.793 -21.755 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.984 -20.893 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.351 -22.343 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.488 -23.406 -3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.020 -22.588 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.455 -20.601 -4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.312 -21.903 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.775 -21.385 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.340 -23.772 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.643 -24.791 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.159 -22.700 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.233 -24.187 -7.913 1.00 0.00 H new ATOM 574 N GLY A 40 -8.332 -19.235 0.369 1.00 0.00 N ATOM 575 CA GLY A 40 -8.143 -18.575 1.648 1.00 0.00 C ATOM 576 C GLY A 40 -6.713 -18.121 1.860 1.00 0.00 C ATOM 577 O GLY A 40 -6.296 -17.871 2.991 1.00 0.00 O ATOM 0 H GLY A 40 -8.935 -18.736 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.808 -17.713 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.428 -19.256 2.450 1.00 0.00 H new ATOM 581 N GLU A 41 -5.959 -18.015 0.770 1.00 0.00 N ATOM 582 CA GLU A 41 -4.566 -17.589 0.844 1.00 0.00 C ATOM 583 C GLU A 41 -4.185 -16.760 -0.378 1.00 0.00 C ATOM 584 O GLU A 41 -4.395 -17.162 -1.523 1.00 0.00 O ATOM 585 CB GLU A 41 -3.644 -18.805 0.957 1.00 0.00 C ATOM 586 CG GLU A 41 -3.581 -19.640 -0.311 1.00 0.00 C ATOM 587 CD GLU A 41 -2.621 -20.809 -0.192 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.303 -21.202 0.949 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.189 -21.330 -1.242 1.00 0.00 O ATOM 0 H GLU A 41 -6.289 -18.218 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.449 -16.969 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.639 -18.466 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.985 -19.434 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.577 -20.015 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.275 -19.007 -1.144 1.00 0.00 H new ATOM 596 N PRO A 42 -3.612 -15.572 -0.132 1.00 0.00 N ATOM 597 CA PRO A 42 -3.189 -14.661 -1.199 1.00 0.00 C ATOM 598 C PRO A 42 -1.987 -15.191 -1.972 1.00 0.00 C ATOM 599 O PRO A 42 -1.202 -15.982 -1.450 1.00 0.00 O ATOM 600 CB PRO A 42 -2.818 -13.381 -0.446 1.00 0.00 C ATOM 601 CG PRO A 42 -2.457 -13.839 0.925 1.00 0.00 C ATOM 602 CD PRO A 42 -3.331 -15.029 1.208 1.00 0.00 C ATOM 0 HA PRO A 42 -3.969 -14.521 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.984 -12.868 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.652 -12.680 -0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.402 -14.107 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.625 -13.049 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.824 -15.759 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.246 -14.741 1.725 1.00 0.00 H new ATOM 610 N GLN A 43 -1.848 -14.749 -3.218 1.00 0.00 N ATOM 611 CA GLN A 43 -0.741 -15.181 -4.063 1.00 0.00 C ATOM 612 C GLN A 43 0.492 -14.314 -3.829 1.00 0.00 C ATOM 613 O GLN A 43 0.382 -13.162 -3.408 1.00 0.00 O ATOM 614 CB GLN A 43 -1.145 -15.127 -5.537 1.00 0.00 C ATOM 615 CG GLN A 43 -1.935 -16.342 -5.996 1.00 0.00 C ATOM 616 CD GLN A 43 -1.411 -17.636 -5.406 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.179 -18.465 -4.917 1.00 0.00 O ATOM 618 NE2 GLN A 43 -0.096 -17.816 -5.448 1.00 0.00 N ATOM 0 H GLN A 43 -2.488 -14.092 -3.664 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.495 -16.210 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.740 -14.230 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.247 -15.036 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.981 -16.217 -5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.901 -16.403 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.503 -17.103 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.315 -18.668 -5.066 1.00 0.00 H new ATOM 627 N ASP A 44 1.664 -14.874 -4.105 1.00 0.00 N ATOM 628 CA ASP A 44 2.918 -14.152 -3.925 1.00 0.00 C ATOM 629 C ASP A 44 2.986 -12.942 -4.852 1.00 0.00 C ATOM 630 O ASP A 44 2.944 -13.079 -6.073 1.00 0.00 O ATOM 631 CB ASP A 44 4.107 -15.077 -4.187 1.00 0.00 C ATOM 632 CG ASP A 44 5.438 -14.389 -3.960 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.567 -13.664 -2.951 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.351 -14.575 -4.792 1.00 0.00 O ATOM 0 H ASP A 44 1.772 -15.826 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 44 2.961 -13.801 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.036 -15.948 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.060 -15.442 -5.213 1.00 0.00 H new ATOM 639 N GLY A 45 3.089 -11.755 -4.261 1.00 0.00 N ATOM 640 CA GLY A 45 3.159 -10.538 -5.048 1.00 0.00 C ATOM 641 C GLY A 45 1.940 -9.656 -4.862 1.00 0.00 C ATOM 642 O GLY A 45 1.886 -8.541 -5.383 1.00 0.00 O ATOM 0 H GLY A 45 3.125 -11.615 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.053 -9.980 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.259 -10.796 -6.102 1.00 0.00 H new ATOM 646 N LEU A 46 0.959 -10.155 -4.119 1.00 0.00 N ATOM 647 CA LEU A 46 -0.267 -9.405 -3.866 1.00 0.00 C ATOM 648 C LEU A 46 0.041 -8.066 -3.203 1.00 0.00 C ATOM 649 O LEU A 46 0.456 -8.016 -2.045 1.00 0.00 O ATOM 650 CB LEU A 46 -1.213 -10.220 -2.982 1.00 0.00 C ATOM 651 CG LEU A 46 -2.704 -9.920 -3.141 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.122 -10.047 -4.598 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.531 -10.849 -2.265 1.00 0.00 C ATOM 0 H LEU A 46 0.988 -11.076 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.751 -9.212 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.051 -11.278 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.938 -10.054 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.884 -8.894 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.186 -9.830 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.553 -9.341 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.927 -11.062 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.589 -10.621 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.345 -11.883 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.251 -10.709 -1.221 1.00 0.00 H new ATOM 665 N TYR A 47 -0.168 -6.984 -3.944 1.00 0.00 N ATOM 666 CA TYR A 47 0.087 -5.644 -3.428 1.00 0.00 C ATOM 667 C TYR A 47 -1.179 -4.794 -3.471 1.00 0.00 C ATOM 668 O TYR A 47 -2.142 -5.128 -4.163 1.00 0.00 O ATOM 669 CB TYR A 47 1.196 -4.967 -4.235 1.00 0.00 C ATOM 670 CG TYR A 47 0.821 -4.698 -5.674 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.979 -5.676 -6.648 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.307 -3.466 -6.060 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.638 -5.435 -7.965 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.038 -3.216 -7.375 1.00 0.00 C ATOM 675 CZ TYR A 47 0.130 -4.203 -8.323 1.00 0.00 C ATOM 676 OH TYR A 47 -0.212 -3.959 -9.633 1.00 0.00 O ATOM 0 H TYR A 47 -0.513 -7.008 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 47 0.406 -5.736 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.459 -4.024 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.086 -5.596 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.375 -6.642 -6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.175 -2.691 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.768 -6.206 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.437 -2.253 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.555 -3.045 -9.717 1.00 0.00 H new ATOM 686 N CYS A 48 -1.170 -3.694 -2.727 1.00 0.00 N ATOM 687 CA CYS A 48 -2.317 -2.794 -2.678 1.00 0.00 C ATOM 688 C CYS A 48 -1.901 -1.407 -2.199 1.00 0.00 C ATOM 689 O CYS A 48 -0.720 -1.151 -1.960 1.00 0.00 O ATOM 690 CB CYS A 48 -3.398 -3.361 -1.757 1.00 0.00 C ATOM 691 SG CYS A 48 -3.107 -3.052 0.001 1.00 0.00 S ATOM 0 H CYS A 48 -0.381 -3.404 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.719 -2.704 -3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.360 -2.931 -2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.470 -4.436 -1.919 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.775 -4.163 0.588 1.00 0.00 H new ATOM 697 N ILE A 49 -2.877 -0.516 -2.063 1.00 0.00 N ATOM 698 CA ILE A 49 -2.611 0.845 -1.614 1.00 0.00 C ATOM 699 C ILE A 49 -3.660 1.307 -0.608 1.00 0.00 C ATOM 700 O ILE A 49 -4.818 1.529 -0.961 1.00 0.00 O ATOM 701 CB ILE A 49 -2.580 1.832 -2.796 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.438 1.481 -3.751 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.435 3.260 -2.290 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.552 2.153 -5.102 1.00 0.00 C ATOM 0 H ILE A 49 -3.859 -0.712 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.632 0.833 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.521 1.754 -3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.491 1.765 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.413 0.401 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.415 3.946 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.279 3.505 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.507 3.353 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.709 1.859 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.483 1.850 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.547 3.235 -4.972 1.00 0.00 H new ATOM 716 N ARG A 50 -3.246 1.450 0.647 1.00 0.00 N ATOM 717 CA ARG A 50 -4.149 1.886 1.704 1.00 0.00 C ATOM 718 C ARG A 50 -3.846 3.322 2.121 1.00 0.00 C ATOM 719 O ARG A 50 -2.928 3.951 1.595 1.00 0.00 O ATOM 720 CB ARG A 50 -4.037 0.958 2.915 1.00 0.00 C ATOM 721 CG ARG A 50 -2.735 1.113 3.683 1.00 0.00 C ATOM 722 CD ARG A 50 -2.739 0.288 4.960 1.00 0.00 C ATOM 723 NE ARG A 50 -1.432 0.280 5.611 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.029 1.218 6.461 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.827 2.233 6.760 1.00 0.00 N ATOM 726 NH2 ARG A 50 0.176 1.141 7.013 1.00 0.00 N ATOM 0 H ARG A 50 -2.291 1.270 0.956 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.167 1.846 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.872 1.152 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.131 -0.075 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.901 0.805 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.579 2.164 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.484 0.688 5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.035 -0.735 4.729 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.794 -0.488 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.753 2.295 6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.515 2.952 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.793 0.361 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.485 1.861 7.666 1.00 0.00 H new ATOM 740 N ASN A 51 -4.623 3.835 3.069 1.00 0.00 N ATOM 741 CA ASN A 51 -4.438 5.197 3.556 1.00 0.00 C ATOM 742 C ASN A 51 -3.669 5.204 4.873 1.00 0.00 C ATOM 743 O ASN A 51 -3.664 4.216 5.607 1.00 0.00 O ATOM 744 CB ASN A 51 -5.793 5.884 3.740 1.00 0.00 C ATOM 745 CG ASN A 51 -6.390 6.348 2.426 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.420 7.544 2.133 1.00 0.00 O ATOM 747 ND2 ASN A 51 -6.868 5.402 1.626 1.00 0.00 N ATOM 0 H ASN A 51 -5.387 3.328 3.515 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.858 5.746 2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.483 5.195 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.676 6.740 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.281 5.654 0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.822 4.423 1.909 1.00 0.00 H new ATOM 754 N SER A 52 -3.019 6.326 5.166 1.00 0.00 N ATOM 755 CA SER A 52 -2.243 6.462 6.394 1.00 0.00 C ATOM 756 C SER A 52 -2.963 7.358 7.396 1.00 0.00 C ATOM 757 O SER A 52 -3.368 6.909 8.468 1.00 0.00 O ATOM 758 CB SER A 52 -0.857 7.032 6.085 1.00 0.00 C ATOM 759 OG SER A 52 -0.186 7.412 7.274 1.00 0.00 O ATOM 0 H SER A 52 -3.014 7.154 4.570 1.00 0.00 H new ATOM 0 HA SER A 52 -2.131 5.472 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.265 6.288 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.954 7.895 5.426 1.00 0.00 H new ATOM 0 HG SER A 52 0.698 7.771 7.050 1.00 0.00 H new ATOM 765 N SER A 53 -3.120 8.629 7.038 1.00 0.00 N ATOM 766 CA SER A 53 -3.788 9.591 7.907 1.00 0.00 C ATOM 767 C SER A 53 -4.661 10.542 7.094 1.00 0.00 C ATOM 768 O SER A 53 -4.776 10.410 5.875 1.00 0.00 O ATOM 769 CB SER A 53 -2.757 10.387 8.709 1.00 0.00 C ATOM 770 OG SER A 53 -3.368 11.067 9.792 1.00 0.00 O ATOM 0 H SER A 53 -2.794 9.016 6.152 1.00 0.00 H new ATOM 0 HA SER A 53 -4.427 9.039 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.987 9.714 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.261 11.106 8.057 1.00 0.00 H new ATOM 0 HG SER A 53 -2.688 11.567 10.290 1.00 0.00 H new ATOM 776 N THR A 54 -5.275 11.502 7.778 1.00 0.00 N ATOM 777 CA THR A 54 -6.139 12.475 7.121 1.00 0.00 C ATOM 778 C THR A 54 -5.328 13.441 6.265 1.00 0.00 C ATOM 779 O THR A 54 -4.548 14.241 6.782 1.00 0.00 O ATOM 780 CB THR A 54 -6.959 13.281 8.147 1.00 0.00 C ATOM 781 OG1 THR A 54 -7.701 12.391 8.988 1.00 0.00 O ATOM 782 CG2 THR A 54 -7.912 14.238 7.447 1.00 0.00 C ATOM 0 H THR A 54 -5.190 11.627 8.787 1.00 0.00 H new ATOM 0 HA THR A 54 -6.820 11.912 6.483 1.00 0.00 H new ATOM 0 HB THR A 54 -6.267 13.863 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.218 12.911 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.480 14.796 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.342 14.933 6.830 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.598 13.672 6.817 1.00 0.00 H new ATOM 790 N LYS A 55 -5.518 13.363 4.952 1.00 0.00 N ATOM 791 CA LYS A 55 -4.806 14.232 4.023 1.00 0.00 C ATOM 792 C LYS A 55 -3.304 14.198 4.289 1.00 0.00 C ATOM 793 O LYS A 55 -2.652 15.241 4.355 1.00 0.00 O ATOM 794 CB LYS A 55 -5.323 15.668 4.137 1.00 0.00 C ATOM 795 CG LYS A 55 -6.488 15.970 3.210 1.00 0.00 C ATOM 796 CD LYS A 55 -7.812 15.542 3.822 1.00 0.00 C ATOM 797 CE LYS A 55 -8.249 16.494 4.925 1.00 0.00 C ATOM 798 NZ LYS A 55 -8.888 17.722 4.377 1.00 0.00 N ATOM 0 H LYS A 55 -6.160 12.706 4.507 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.987 13.867 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.631 15.854 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.507 16.357 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.514 17.038 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.342 15.455 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.578 15.505 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.719 14.534 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.949 15.985 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.385 16.773 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.172 18.345 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.212 18.222 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.728 17.459 3.823 1.00 0.00 H new ATOM 812 N SER A 56 -2.761 12.995 4.439 1.00 0.00 N ATOM 813 CA SER A 56 -1.336 12.826 4.700 1.00 0.00 C ATOM 814 C SER A 56 -0.646 12.139 3.526 1.00 0.00 C ATOM 815 O SER A 56 0.416 12.568 3.078 1.00 0.00 O ATOM 816 CB SER A 56 -1.123 12.013 5.978 1.00 0.00 C ATOM 817 OG SER A 56 -1.758 10.749 5.891 1.00 0.00 O ATOM 0 H SER A 56 -3.286 12.122 4.384 1.00 0.00 H new ATOM 0 HA SER A 56 -0.896 13.815 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.056 11.876 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.517 12.563 6.833 1.00 0.00 H new ATOM 0 HG SER A 56 -1.123 10.046 6.141 1.00 0.00 H new ATOM 823 N GLY A 57 -1.260 11.068 3.031 1.00 0.00 N ATOM 824 CA GLY A 57 -0.692 10.338 1.913 1.00 0.00 C ATOM 825 C GLY A 57 -1.182 8.905 1.847 1.00 0.00 C ATOM 826 O GLY A 57 -2.217 8.568 2.422 1.00 0.00 O ATOM 0 H GLY A 57 -2.140 10.693 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.945 10.848 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.395 10.344 1.994 1.00 0.00 H new ATOM 830 N LYS A 58 -0.437 8.059 1.144 1.00 0.00 N ATOM 831 CA LYS A 58 -0.801 6.654 1.004 1.00 0.00 C ATOM 832 C LYS A 58 0.344 5.749 1.448 1.00 0.00 C ATOM 833 O LYS A 58 1.466 6.209 1.660 1.00 0.00 O ATOM 834 CB LYS A 58 -1.175 6.345 -0.448 1.00 0.00 C ATOM 835 CG LYS A 58 -2.380 7.126 -0.944 1.00 0.00 C ATOM 836 CD LYS A 58 -3.676 6.376 -0.685 1.00 0.00 C ATOM 837 CE LYS A 58 -4.731 6.710 -1.728 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.844 5.721 -1.727 1.00 0.00 N ATOM 0 H LYS A 58 0.423 8.322 0.662 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.662 6.462 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.321 6.564 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.379 5.279 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.415 8.096 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.276 7.317 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.484 5.303 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.051 6.627 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.130 7.706 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.270 6.737 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.243 5.646 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.483 4.792 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.585 6.033 -1.067 1.00 0.00 H new ATOM 852 N VAL A 59 0.053 4.459 1.586 1.00 0.00 N ATOM 853 CA VAL A 59 1.059 3.489 2.003 1.00 0.00 C ATOM 854 C VAL A 59 0.933 2.192 1.211 1.00 0.00 C ATOM 855 O VAL A 59 -0.055 1.467 1.339 1.00 0.00 O ATOM 856 CB VAL A 59 0.945 3.173 3.506 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.109 2.305 3.959 1.00 0.00 C ATOM 858 CG2 VAL A 59 0.880 4.458 4.317 1.00 0.00 C ATOM 0 H VAL A 59 -0.871 4.062 1.415 1.00 0.00 H new ATOM 0 HA VAL A 59 2.033 3.938 1.807 1.00 0.00 H new ATOM 0 HB VAL A 59 0.022 2.618 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.011 2.092 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.104 1.369 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.047 2.831 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.800 4.216 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.784 5.042 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.010 5.038 4.010 1.00 0.00 H new ATOM 868 N LEU A 60 1.939 1.905 0.392 1.00 0.00 N ATOM 869 CA LEU A 60 1.942 0.694 -0.421 1.00 0.00 C ATOM 870 C LEU A 60 2.230 -0.535 0.434 1.00 0.00 C ATOM 871 O LEU A 60 3.281 -0.632 1.067 1.00 0.00 O ATOM 872 CB LEU A 60 2.982 0.809 -1.537 1.00 0.00 C ATOM 873 CG LEU A 60 3.431 -0.507 -2.174 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.424 -0.965 -3.218 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.813 -0.356 -2.793 1.00 0.00 C ATOM 0 H LEU A 60 2.763 2.494 0.273 1.00 0.00 H new ATOM 0 HA LEU A 60 0.953 0.581 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.576 1.449 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.861 1.314 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 60 3.486 -1.266 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.760 -1.903 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.453 -1.114 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.337 -0.207 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.116 -1.302 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.785 0.417 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.529 -0.075 -2.021 1.00 0.00 H new ATOM 887 N VAL A 61 1.289 -1.475 0.446 1.00 0.00 N ATOM 888 CA VAL A 61 1.443 -2.700 1.220 1.00 0.00 C ATOM 889 C VAL A 61 1.482 -3.924 0.311 1.00 0.00 C ATOM 890 O VAL A 61 0.550 -4.171 -0.455 1.00 0.00 O ATOM 891 CB VAL A 61 0.300 -2.868 2.239 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.339 -4.255 2.863 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.379 -1.790 3.310 1.00 0.00 C ATOM 0 H VAL A 61 0.413 -1.411 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 61 2.389 -2.618 1.756 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.649 -2.759 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.476 -4.354 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.230 -5.008 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.291 -4.397 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.436 -1.924 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.333 -1.865 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.297 -0.808 2.844 1.00 0.00 H new ATOM 903 N VAL A 62 2.566 -4.687 0.401 1.00 0.00 N ATOM 904 CA VAL A 62 2.727 -5.886 -0.412 1.00 0.00 C ATOM 905 C VAL A 62 2.669 -7.144 0.446 1.00 0.00 C ATOM 906 O VAL A 62 2.937 -7.101 1.647 1.00 0.00 O ATOM 907 CB VAL A 62 4.059 -5.866 -1.185 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.054 -6.916 -2.286 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.321 -4.482 -1.759 1.00 0.00 C ATOM 0 H VAL A 62 3.346 -4.496 1.029 1.00 0.00 H new ATOM 0 HA VAL A 62 1.902 -5.898 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 62 4.865 -6.105 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.003 -6.887 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.916 -7.904 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.239 -6.711 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.266 -4.486 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.513 -4.211 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.372 -3.755 -0.948 1.00 0.00 H new ATOM 919 N TRP A 63 2.317 -8.263 -0.177 1.00 0.00 N ATOM 920 CA TRP A 63 2.224 -9.535 0.531 1.00 0.00 C ATOM 921 C TRP A 63 3.454 -10.397 0.266 1.00 0.00 C ATOM 922 O TRP A 63 3.699 -10.812 -0.867 1.00 0.00 O ATOM 923 CB TRP A 63 0.960 -10.286 0.110 1.00 0.00 C ATOM 924 CG TRP A 63 0.938 -11.714 0.563 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.188 -12.819 -0.199 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.649 -12.191 1.881 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.072 -13.955 0.566 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.742 -13.596 1.847 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.322 -11.567 3.089 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.519 -14.385 2.972 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.101 -12.352 4.205 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.201 -13.748 4.141 1.00 0.00 C ATOM 0 H TRP A 63 2.091 -8.316 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 63 2.174 -9.324 1.599 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.089 -9.771 0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.873 -10.256 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.440 -12.803 -1.249 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.209 -14.910 0.234 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.244 -10.492 3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.594 -15.461 2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.153 -11.881 5.143 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.024 -14.333 5.031 1.00 0.00 H new ATOM 943 N ASP A 64 4.223 -10.662 1.316 1.00 0.00 N ATOM 944 CA ASP A 64 5.426 -11.476 1.196 1.00 0.00 C ATOM 945 C ASP A 64 5.101 -12.957 1.367 1.00 0.00 C ATOM 946 O ASP A 64 5.357 -13.541 2.419 1.00 0.00 O ATOM 947 CB ASP A 64 6.464 -11.047 2.234 1.00 0.00 C ATOM 948 CG ASP A 64 6.330 -9.586 2.616 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.780 -8.809 1.808 1.00 0.00 O ATOM 950 OD2 ASP A 64 6.775 -9.219 3.724 1.00 0.00 O ATOM 0 H ASP A 64 4.034 -10.325 2.260 1.00 0.00 H new ATOM 0 HA ASP A 64 5.837 -11.326 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.358 -11.664 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.464 -11.226 1.839 1.00 0.00 H new ATOM 955 N GLU A 65 4.534 -13.557 0.325 1.00 0.00 N ATOM 956 CA GLU A 65 4.172 -14.969 0.361 1.00 0.00 C ATOM 957 C GLU A 65 5.338 -15.817 0.860 1.00 0.00 C ATOM 958 O GLU A 65 5.141 -16.875 1.458 1.00 0.00 O ATOM 959 CB GLU A 65 3.739 -15.444 -1.028 1.00 0.00 C ATOM 960 CG GLU A 65 3.535 -16.946 -1.121 1.00 0.00 C ATOM 961 CD GLU A 65 2.479 -17.329 -2.139 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.366 -16.767 -2.081 1.00 0.00 O ATOM 963 OE2 GLU A 65 2.766 -18.193 -2.995 1.00 0.00 O ATOM 0 H GLU A 65 4.316 -13.088 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 65 3.338 -15.086 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.811 -14.942 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.491 -15.142 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.479 -17.421 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.248 -17.331 -0.143 1.00 0.00 H new ATOM 970 N THR A 66 6.555 -15.346 0.608 1.00 0.00 N ATOM 971 CA THR A 66 7.754 -16.060 1.029 1.00 0.00 C ATOM 972 C THR A 66 7.879 -16.077 2.549 1.00 0.00 C ATOM 973 O THR A 66 8.368 -17.045 3.130 1.00 0.00 O ATOM 974 CB THR A 66 9.024 -15.429 0.428 1.00 0.00 C ATOM 975 OG1 THR A 66 9.202 -14.104 0.940 1.00 0.00 O ATOM 976 CG2 THR A 66 8.940 -15.385 -1.090 1.00 0.00 C ATOM 0 H THR A 66 6.736 -14.472 0.114 1.00 0.00 H new ATOM 0 HA THR A 66 7.657 -17.082 0.664 1.00 0.00 H new ATOM 0 HB THR A 66 9.878 -16.045 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.012 -13.710 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.848 -14.935 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.834 -16.398 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.077 -14.790 -1.390 1.00 0.00 H new ATOM 984 N SER A 67 7.432 -14.999 3.187 1.00 0.00 N ATOM 985 CA SER A 67 7.497 -14.889 4.639 1.00 0.00 C ATOM 986 C SER A 67 6.101 -14.951 5.252 1.00 0.00 C ATOM 987 O SER A 67 5.937 -14.823 6.464 1.00 0.00 O ATOM 988 CB SER A 67 8.186 -13.584 5.043 1.00 0.00 C ATOM 989 OG SER A 67 9.596 -13.707 4.966 1.00 0.00 O ATOM 0 H SER A 67 7.021 -14.190 2.721 1.00 0.00 H new ATOM 0 HA SER A 67 8.078 -15.730 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.852 -12.776 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.896 -13.315 6.059 1.00 0.00 H new ATOM 0 HG SER A 67 10.013 -12.860 5.227 1.00 0.00 H new ATOM 995 N ASN A 68 5.098 -15.149 4.403 1.00 0.00 N ATOM 996 CA ASN A 68 3.715 -15.227 4.859 1.00 0.00 C ATOM 997 C ASN A 68 3.364 -14.032 5.741 1.00 0.00 C ATOM 998 O ASN A 68 2.719 -14.180 6.779 1.00 0.00 O ATOM 999 CB ASN A 68 3.483 -16.529 5.629 1.00 0.00 C ATOM 1000 CG ASN A 68 2.010 -16.832 5.821 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.207 -15.933 6.070 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.648 -18.105 5.707 1.00 0.00 N ATOM 0 H ASN A 68 5.217 -15.258 3.396 1.00 0.00 H new ATOM 0 HA ASN A 68 3.068 -15.211 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.954 -17.353 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.968 -16.463 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.670 -18.370 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.348 -18.818 5.500 1.00 0.00 H new ATOM 1009 N LYS A 69 3.794 -12.847 5.320 1.00 0.00 N ATOM 1010 CA LYS A 69 3.525 -11.626 6.069 1.00 0.00 C ATOM 1011 C LYS A 69 3.358 -10.437 5.128 1.00 0.00 C ATOM 1012 O LYS A 69 3.586 -10.548 3.923 1.00 0.00 O ATOM 1013 CB LYS A 69 4.658 -11.350 7.059 1.00 0.00 C ATOM 1014 CG LYS A 69 6.012 -11.162 6.397 1.00 0.00 C ATOM 1015 CD LYS A 69 7.060 -10.695 7.394 1.00 0.00 C ATOM 1016 CE LYS A 69 6.887 -9.224 7.737 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.681 -8.836 8.936 1.00 0.00 N ATOM 0 H LYS A 69 4.330 -12.707 4.464 1.00 0.00 H new ATOM 0 HA LYS A 69 2.595 -11.765 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.417 -10.456 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.721 -12.177 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.331 -12.101 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.926 -10.434 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.990 -11.292 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.055 -10.859 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.193 -8.615 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.832 -9.015 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.536 -7.826 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.372 -9.399 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.690 -9.011 8.756 1.00 0.00 H new ATOM 1031 N VAL A 70 2.959 -9.298 5.686 1.00 0.00 N ATOM 1032 CA VAL A 70 2.763 -8.087 4.897 1.00 0.00 C ATOM 1033 C VAL A 70 3.801 -7.027 5.251 1.00 0.00 C ATOM 1034 O VAL A 70 4.384 -7.053 6.335 1.00 0.00 O ATOM 1035 CB VAL A 70 1.354 -7.502 5.107 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.291 -8.533 4.762 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.190 -7.011 6.537 1.00 0.00 C ATOM 0 H VAL A 70 2.765 -9.189 6.681 1.00 0.00 H new ATOM 0 HA VAL A 70 2.878 -8.369 3.850 1.00 0.00 H new ATOM 0 HB VAL A 70 1.229 -6.650 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.698 -8.102 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.398 -8.831 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.410 -9.407 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.189 -6.601 6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.334 -7.843 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.929 -6.237 6.743 1.00 0.00 H new ATOM 1047 N ARG A 71 4.025 -6.096 4.330 1.00 0.00 N ATOM 1048 CA ARG A 71 4.993 -5.027 4.544 1.00 0.00 C ATOM 1049 C ARG A 71 4.304 -3.666 4.561 1.00 0.00 C ATOM 1050 O ARG A 71 3.081 -3.576 4.454 1.00 0.00 O ATOM 1051 CB ARG A 71 6.065 -5.054 3.453 1.00 0.00 C ATOM 1052 CG ARG A 71 6.835 -6.363 3.389 1.00 0.00 C ATOM 1053 CD ARG A 71 7.638 -6.600 4.658 1.00 0.00 C ATOM 1054 NE ARG A 71 8.545 -7.738 4.527 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.464 -8.053 5.433 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.599 -7.319 6.529 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.252 -9.103 5.243 1.00 0.00 N ATOM 0 H ARG A 71 3.549 -6.060 3.428 1.00 0.00 H new ATOM 0 HA ARG A 71 5.466 -5.188 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.593 -4.872 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.766 -4.237 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.139 -7.188 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.506 -6.350 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.212 -5.705 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.957 -6.773 5.491 1.00 0.00 H new ATOM 0 HE ARG A 71 8.468 -8.322 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.996 -6.510 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.306 -7.564 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.153 -9.669 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.957 -9.344 5.939 1.00 0.00 H new ATOM 1071 N ASN A 72 5.097 -2.608 4.697 1.00 0.00 N ATOM 1072 CA ASN A 72 4.564 -1.251 4.729 1.00 0.00 C ATOM 1073 C ASN A 72 5.494 -0.284 4.004 1.00 0.00 C ATOM 1074 O ASN A 72 6.595 0.006 4.474 1.00 0.00 O ATOM 1075 CB ASN A 72 4.362 -0.795 6.176 1.00 0.00 C ATOM 1076 CG ASN A 72 3.421 -1.704 6.943 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.201 -1.605 6.813 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.986 -2.595 7.749 1.00 0.00 N ATOM 0 H ASN A 72 6.111 -2.664 4.787 1.00 0.00 H new ATOM 0 HA ASN A 72 3.601 -1.253 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.327 -0.765 6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.967 0.221 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.404 -3.233 8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.002 -2.641 7.825 1.00 0.00 H new ATOM 1085 N TYR A 73 5.044 0.213 2.857 1.00 0.00 N ATOM 1086 CA TYR A 73 5.836 1.147 2.066 1.00 0.00 C ATOM 1087 C TYR A 73 5.182 2.525 2.033 1.00 0.00 C ATOM 1088 O TYR A 73 4.175 2.730 1.354 1.00 0.00 O ATOM 1089 CB TYR A 73 6.011 0.619 0.641 1.00 0.00 C ATOM 1090 CG TYR A 73 6.866 -0.625 0.557 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.253 -0.540 0.548 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.287 -1.886 0.487 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.037 -1.674 0.471 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.064 -3.026 0.411 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.438 -2.914 0.403 1.00 0.00 C ATOM 1096 OH TYR A 73 9.217 -4.047 0.327 1.00 0.00 O ATOM 0 H TYR A 73 4.135 -0.015 2.455 1.00 0.00 H new ATOM 0 HA TYR A 73 6.815 1.241 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.029 0.404 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.459 1.400 0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.726 0.430 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.211 -1.977 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.114 -1.590 0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.598 -3.999 0.358 1.00 0.00 H new ATOM 0 HH TYR A 73 10.118 -3.848 0.658 1.00 0.00 H new ATOM 1106 N ARG A 74 5.762 3.466 2.770 1.00 0.00 N ATOM 1107 CA ARG A 74 5.236 4.825 2.827 1.00 0.00 C ATOM 1108 C ARG A 74 5.358 5.512 1.470 1.00 0.00 C ATOM 1109 O ARG A 74 6.449 5.606 0.907 1.00 0.00 O ATOM 1110 CB ARG A 74 5.977 5.637 3.891 1.00 0.00 C ATOM 1111 CG ARG A 74 5.342 5.559 5.269 1.00 0.00 C ATOM 1112 CD ARG A 74 5.574 6.836 6.062 1.00 0.00 C ATOM 1113 NE ARG A 74 5.604 6.588 7.501 1.00 0.00 N ATOM 1114 CZ ARG A 74 5.683 7.552 8.412 1.00 0.00 C ATOM 1115 NH1 ARG A 74 5.740 8.822 8.034 1.00 0.00 N ATOM 1116 NH2 ARG A 74 5.706 7.247 9.703 1.00 0.00 N ATOM 0 H ARG A 74 6.596 3.313 3.336 1.00 0.00 H new ATOM 0 HA ARG A 74 4.180 4.769 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.006 5.284 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.017 6.680 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.271 5.382 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.756 4.711 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.516 7.289 5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.785 7.553 5.834 1.00 0.00 H new ATOM 0 HE ARG A 74 5.562 5.622 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.723 9.060 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.801 9.561 8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.663 6.271 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.767 7.988 10.401 1.00 0.00 H new ATOM 1130 N ILE A 75 4.232 5.990 0.951 1.00 0.00 N ATOM 1131 CA ILE A 75 4.214 6.668 -0.338 1.00 0.00 C ATOM 1132 C ILE A 75 4.274 8.182 -0.164 1.00 0.00 C ATOM 1133 O ILE A 75 3.246 8.860 -0.169 1.00 0.00 O ATOM 1134 CB ILE A 75 2.954 6.306 -1.147 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.927 4.805 -1.444 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.905 7.108 -2.439 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.589 4.314 -1.953 1.00 0.00 C ATOM 0 H ILE A 75 3.321 5.920 1.404 1.00 0.00 H new ATOM 0 HA ILE A 75 5.096 6.332 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 75 2.075 6.556 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.694 4.575 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.184 4.259 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.009 6.841 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.883 8.173 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.788 6.886 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.643 3.242 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.820 4.512 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.339 4.834 -2.878 1.00 0.00 H new ATOM 1149 N PHE A 76 5.485 8.707 -0.012 1.00 0.00 N ATOM 1150 CA PHE A 76 5.681 10.141 0.163 1.00 0.00 C ATOM 1151 C PHE A 76 5.304 10.900 -1.106 1.00 0.00 C ATOM 1152 O PHE A 76 5.066 10.299 -2.153 1.00 0.00 O ATOM 1153 CB PHE A 76 7.135 10.438 0.536 1.00 0.00 C ATOM 1154 CG PHE A 76 7.582 9.753 1.796 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.407 10.359 3.029 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.178 8.503 1.746 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.817 9.732 4.190 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.590 7.871 2.904 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.410 8.487 4.128 1.00 0.00 C ATOM 0 H PHE A 76 6.346 8.160 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 76 5.031 10.475 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.783 10.130 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.259 11.515 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.944 11.333 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.322 8.018 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.674 10.215 5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.052 6.896 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.733 7.995 5.034 1.00 0.00 H new ATOM 1169 N GLU A 77 5.252 12.224 -1.003 1.00 0.00 N ATOM 1170 CA GLU A 77 4.903 13.065 -2.142 1.00 0.00 C ATOM 1171 C GLU A 77 5.897 14.213 -2.296 1.00 0.00 C ATOM 1172 O GLU A 77 5.811 15.223 -1.597 1.00 0.00 O ATOM 1173 CB GLU A 77 3.487 13.621 -1.980 1.00 0.00 C ATOM 1174 CG GLU A 77 2.958 14.314 -3.224 1.00 0.00 C ATOM 1175 CD GLU A 77 1.797 15.242 -2.926 1.00 0.00 C ATOM 1176 OE1 GLU A 77 0.790 14.768 -2.359 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.893 16.441 -3.260 1.00 0.00 O ATOM 0 H GLU A 77 5.447 12.737 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 77 4.943 12.449 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.814 12.806 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.476 14.326 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.763 14.883 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.641 13.562 -3.947 1.00 0.00 H new ATOM 1184 N LYS A 78 6.843 14.050 -3.215 1.00 0.00 N ATOM 1185 CA LYS A 78 7.854 15.071 -3.463 1.00 0.00 C ATOM 1186 C LYS A 78 7.920 15.422 -4.946 1.00 0.00 C ATOM 1187 O LYS A 78 7.810 14.548 -5.806 1.00 0.00 O ATOM 1188 CB LYS A 78 9.224 14.588 -2.981 1.00 0.00 C ATOM 1189 CG LYS A 78 10.387 15.352 -3.590 1.00 0.00 C ATOM 1190 CD LYS A 78 11.702 14.996 -2.917 1.00 0.00 C ATOM 1191 CE LYS A 78 11.957 15.868 -1.697 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.358 17.251 -2.077 1.00 0.00 N ATOM 0 H LYS A 78 6.930 13.220 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 78 7.575 15.966 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.270 14.677 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.331 13.530 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.451 15.131 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.208 16.423 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.688 13.947 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.520 15.115 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.057 15.907 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.740 15.418 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.748 17.740 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.079 17.210 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.527 17.770 -2.425 1.00 0.00 H new ATOM 1206 N ASP A 79 8.101 16.705 -5.237 1.00 0.00 N ATOM 1207 CA ASP A 79 8.185 17.172 -6.617 1.00 0.00 C ATOM 1208 C ASP A 79 7.080 16.554 -7.467 1.00 0.00 C ATOM 1209 O ASP A 79 7.272 16.286 -8.653 1.00 0.00 O ATOM 1210 CB ASP A 79 9.553 16.832 -7.210 1.00 0.00 C ATOM 1211 CG ASP A 79 10.696 17.417 -6.403 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.716 18.651 -6.211 1.00 0.00 O ATOM 1213 OD2 ASP A 79 11.569 16.641 -5.963 1.00 0.00 O ATOM 0 H ASP A 79 8.192 17.441 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 79 8.057 18.254 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.665 15.749 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.606 17.206 -8.233 1.00 0.00 H new ATOM 1218 N SER A 80 5.923 16.328 -6.853 1.00 0.00 N ATOM 1219 CA SER A 80 4.789 15.737 -7.552 1.00 0.00 C ATOM 1220 C SER A 80 5.132 14.340 -8.062 1.00 0.00 C ATOM 1221 O SER A 80 4.707 13.939 -9.145 1.00 0.00 O ATOM 1222 CB SER A 80 4.362 16.627 -8.720 1.00 0.00 C ATOM 1223 OG SER A 80 3.552 17.701 -8.274 1.00 0.00 O ATOM 0 H SER A 80 5.747 16.546 -5.872 1.00 0.00 H new ATOM 0 HA SER A 80 3.963 15.655 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.245 17.019 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.814 16.034 -9.452 1.00 0.00 H new ATOM 0 HG SER A 80 3.294 18.256 -9.039 1.00 0.00 H new ATOM 1229 N LYS A 81 5.907 13.603 -7.273 1.00 0.00 N ATOM 1230 CA LYS A 81 6.309 12.251 -7.641 1.00 0.00 C ATOM 1231 C LYS A 81 6.348 11.343 -6.416 1.00 0.00 C ATOM 1232 O LYS A 81 7.152 11.546 -5.506 1.00 0.00 O ATOM 1233 CB LYS A 81 7.681 12.271 -8.318 1.00 0.00 C ATOM 1234 CG LYS A 81 7.788 13.286 -9.444 1.00 0.00 C ATOM 1235 CD LYS A 81 8.763 12.828 -10.516 1.00 0.00 C ATOM 1236 CE LYS A 81 9.006 13.916 -11.550 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.392 13.350 -12.871 1.00 0.00 N ATOM 0 H LYS A 81 6.269 13.920 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 81 5.572 11.857 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.443 12.489 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.897 11.278 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.805 13.443 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.113 14.245 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.709 12.547 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.372 11.938 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.104 14.518 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.792 14.583 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.549 14.124 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.267 12.797 -12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.631 12.733 -13.220 1.00 0.00 H new ATOM 1251 N PHE A 82 5.476 10.340 -6.400 1.00 0.00 N ATOM 1252 CA PHE A 82 5.412 9.400 -5.287 1.00 0.00 C ATOM 1253 C PHE A 82 6.737 8.662 -5.121 1.00 0.00 C ATOM 1254 O PHE A 82 7.293 8.138 -6.087 1.00 0.00 O ATOM 1255 CB PHE A 82 4.279 8.395 -5.505 1.00 0.00 C ATOM 1256 CG PHE A 82 3.001 9.026 -5.979 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.282 9.873 -5.151 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.520 8.772 -7.253 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.106 10.454 -5.585 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.344 9.351 -7.693 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.637 10.193 -6.858 1.00 0.00 C ATOM 0 H PHE A 82 4.804 10.157 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 82 5.216 9.966 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.600 7.651 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.089 7.866 -4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.645 10.081 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.070 8.114 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.554 11.112 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.979 9.145 -8.688 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.281 10.647 -7.200 1.00 0.00 H new ATOM 1271 N TYR A 83 7.238 8.626 -3.891 1.00 0.00 N ATOM 1272 CA TYR A 83 8.499 7.955 -3.599 1.00 0.00 C ATOM 1273 C TYR A 83 8.436 7.240 -2.252 1.00 0.00 C ATOM 1274 O TYR A 83 7.665 7.619 -1.370 1.00 0.00 O ATOM 1275 CB TYR A 83 9.649 8.964 -3.600 1.00 0.00 C ATOM 1276 CG TYR A 83 9.701 9.825 -2.358 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.343 9.382 -1.208 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.107 11.080 -2.334 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.392 10.164 -0.071 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.153 11.871 -1.202 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.796 11.408 -0.073 1.00 0.00 C ATOM 1282 OH TYR A 83 9.842 12.192 1.057 1.00 0.00 O ATOM 0 H TYR A 83 6.790 9.054 -3.080 1.00 0.00 H new ATOM 0 HA TYR A 83 8.675 7.212 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.592 8.427 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.555 9.608 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.812 8.409 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.600 11.444 -3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 83 10.894 9.804 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.688 12.846 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 83 9.239 11.823 1.736 1.00 0.00 H new ATOM 1292 N LEU A 84 9.253 6.204 -2.102 1.00 0.00 N ATOM 1293 CA LEU A 84 9.293 5.434 -0.863 1.00 0.00 C ATOM 1294 C LEU A 84 10.642 5.588 -0.170 1.00 0.00 C ATOM 1295 O LEU A 84 10.716 5.648 1.057 1.00 0.00 O ATOM 1296 CB LEU A 84 9.019 3.956 -1.149 1.00 0.00 C ATOM 1297 CG LEU A 84 7.971 3.664 -2.224 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.880 2.169 -2.487 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.615 4.218 -1.812 1.00 0.00 C ATOM 0 H LEU A 84 9.897 5.877 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 84 8.519 5.819 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.956 3.484 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.702 3.480 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 84 8.277 4.157 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.130 1.980 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.848 1.800 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.597 1.655 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.882 4.001 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.301 3.754 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.689 5.297 -1.675 1.00 0.00 H new ATOM 1311 N GLU A 85 11.707 5.652 -0.964 1.00 0.00 N ATOM 1312 CA GLU A 85 13.053 5.800 -0.425 1.00 0.00 C ATOM 1313 C GLU A 85 13.448 7.272 -0.344 1.00 0.00 C ATOM 1314 O GLU A 85 13.914 7.744 0.692 1.00 0.00 O ATOM 1315 CB GLU A 85 14.059 5.038 -1.290 1.00 0.00 C ATOM 1316 CG GLU A 85 14.052 5.462 -2.749 1.00 0.00 C ATOM 1317 CD GLU A 85 14.977 4.620 -3.606 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.197 4.622 -3.343 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.479 3.958 -4.541 1.00 0.00 O ATOM 0 H GLU A 85 11.663 5.604 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 85 13.061 5.383 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.059 5.184 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.843 3.971 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.037 5.391 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.349 6.508 -2.821 1.00 0.00 H new ATOM 1326 N GLY A 86 13.258 7.991 -1.446 1.00 0.00 N ATOM 1327 CA GLY A 86 13.599 9.401 -1.479 1.00 0.00 C ATOM 1328 C GLY A 86 14.062 9.853 -2.850 1.00 0.00 C ATOM 1329 O GLY A 86 13.251 10.029 -3.758 1.00 0.00 O ATOM 0 H GLY A 86 12.874 7.622 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.731 9.989 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.385 9.599 -0.750 1.00 0.00 H new ATOM 1333 N GLU A 87 15.370 10.044 -2.998 1.00 0.00 N ATOM 1334 CA GLU A 87 15.938 10.481 -4.268 1.00 0.00 C ATOM 1335 C GLU A 87 15.216 9.825 -5.441 1.00 0.00 C ATOM 1336 O GLU A 87 15.110 10.405 -6.522 1.00 0.00 O ATOM 1337 CB GLU A 87 17.431 10.152 -4.324 1.00 0.00 C ATOM 1338 CG GLU A 87 17.730 8.665 -4.229 1.00 0.00 C ATOM 1339 CD GLU A 87 19.208 8.378 -4.049 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.844 9.046 -3.207 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.729 7.486 -4.751 1.00 0.00 O ATOM 0 H GLU A 87 16.055 9.903 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 87 15.809 11.561 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.845 10.539 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.939 10.669 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.176 8.240 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.374 8.168 -5.132 1.00 0.00 H new ATOM 1348 N VAL A 88 14.723 8.610 -5.221 1.00 0.00 N ATOM 1349 CA VAL A 88 14.011 7.874 -6.259 1.00 0.00 C ATOM 1350 C VAL A 88 12.505 8.070 -6.136 1.00 0.00 C ATOM 1351 O VAL A 88 11.872 7.545 -5.219 1.00 0.00 O ATOM 1352 CB VAL A 88 14.329 6.369 -6.197 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.581 5.620 -7.290 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.828 6.136 -6.311 1.00 0.00 C ATOM 0 H VAL A 88 14.804 8.115 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 88 14.349 8.270 -7.217 1.00 0.00 H new ATOM 0 HB VAL A 88 13.997 5.985 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.818 4.558 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.508 5.760 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.880 6.005 -8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.035 5.067 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.187 6.535 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.338 6.639 -5.490 1.00 0.00 H new ATOM 1364 N LEU A 89 11.934 8.828 -7.066 1.00 0.00 N ATOM 1365 CA LEU A 89 10.500 9.094 -7.063 1.00 0.00 C ATOM 1366 C LEU A 89 9.870 8.695 -8.394 1.00 0.00 C ATOM 1367 O LEU A 89 10.561 8.255 -9.313 1.00 0.00 O ATOM 1368 CB LEU A 89 10.236 10.574 -6.784 1.00 0.00 C ATOM 1369 CG LEU A 89 11.250 11.278 -5.881 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.371 11.884 -6.710 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.565 12.348 -5.043 1.00 0.00 C ATOM 0 H LEU A 89 12.443 9.269 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 89 10.046 8.496 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.200 11.102 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.249 10.667 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 89 11.683 10.539 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.083 12.381 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.879 11.096 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.955 12.610 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.301 12.839 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.105 13.086 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.798 11.887 -4.421 1.00 0.00 H new ATOM 1383 N PHE A 90 8.554 8.855 -8.492 1.00 0.00 N ATOM 1384 CA PHE A 90 7.831 8.514 -9.711 1.00 0.00 C ATOM 1385 C PHE A 90 6.680 9.486 -9.951 1.00 0.00 C ATOM 1386 O PHE A 90 5.803 9.650 -9.102 1.00 0.00 O ATOM 1387 CB PHE A 90 7.295 7.083 -9.627 1.00 0.00 C ATOM 1388 CG PHE A 90 8.372 6.048 -9.465 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.855 5.724 -8.207 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.901 5.400 -10.569 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.846 4.773 -8.055 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.892 4.448 -10.423 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.365 4.133 -9.164 1.00 0.00 C ATOM 0 H PHE A 90 7.967 9.219 -7.741 1.00 0.00 H new ATOM 0 HA PHE A 90 8.525 8.587 -10.548 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.604 7.011 -8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.724 6.864 -10.529 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.453 6.220 -7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.535 5.642 -11.556 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.215 4.530 -7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.296 3.951 -11.292 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.138 3.388 -9.047 1.00 0.00 H new ATOM 1403 N VAL A 91 6.690 10.131 -11.113 1.00 0.00 N ATOM 1404 CA VAL A 91 5.648 11.087 -11.466 1.00 0.00 C ATOM 1405 C VAL A 91 4.267 10.557 -11.097 1.00 0.00 C ATOM 1406 O VAL A 91 3.393 11.313 -10.674 1.00 0.00 O ATOM 1407 CB VAL A 91 5.673 11.415 -12.971 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.995 10.312 -13.770 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.012 12.759 -13.234 1.00 0.00 C ATOM 0 H VAL A 91 7.409 10.009 -11.826 1.00 0.00 H new ATOM 0 HA VAL A 91 5.849 11.996 -10.899 1.00 0.00 H new ATOM 0 HB VAL A 91 6.712 11.478 -13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.023 10.562 -14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.517 9.370 -13.605 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.959 10.213 -13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.039 12.975 -14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.976 12.727 -12.896 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.547 13.540 -12.693 1.00 0.00 H new ATOM 1419 N SER A 92 4.078 9.251 -11.258 1.00 0.00 N ATOM 1420 CA SER A 92 2.802 8.619 -10.944 1.00 0.00 C ATOM 1421 C SER A 92 3.010 7.187 -10.459 1.00 0.00 C ATOM 1422 O SER A 92 3.980 6.528 -10.831 1.00 0.00 O ATOM 1423 CB SER A 92 1.890 8.626 -12.172 1.00 0.00 C ATOM 1424 OG SER A 92 1.551 9.949 -12.548 1.00 0.00 O ATOM 0 H SER A 92 4.792 8.610 -11.604 1.00 0.00 H new ATOM 0 HA SER A 92 2.328 9.190 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.389 8.125 -13.002 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.982 8.062 -11.958 1.00 0.00 H new ATOM 0 HG SER A 92 0.969 9.926 -13.336 1.00 0.00 H new ATOM 1430 N VAL A 93 2.090 6.712 -9.625 1.00 0.00 N ATOM 1431 CA VAL A 93 2.170 5.359 -9.088 1.00 0.00 C ATOM 1432 C VAL A 93 2.383 4.338 -10.201 1.00 0.00 C ATOM 1433 O VAL A 93 3.233 3.455 -10.093 1.00 0.00 O ATOM 1434 CB VAL A 93 0.897 4.989 -8.305 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.981 3.560 -7.792 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.676 5.964 -7.157 1.00 0.00 C ATOM 0 H VAL A 93 1.280 7.245 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 93 3.023 5.338 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 93 0.044 5.057 -8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.072 3.317 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.088 2.877 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.843 3.460 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.228 5.688 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.530 5.930 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.567 6.974 -7.553 1.00 0.00 H new ATOM 1446 N GLY A 94 1.605 4.467 -11.271 1.00 0.00 N ATOM 1447 CA GLY A 94 1.724 3.550 -12.390 1.00 0.00 C ATOM 1448 C GLY A 94 3.167 3.233 -12.729 1.00 0.00 C ATOM 1449 O GLY A 94 3.592 2.080 -12.652 1.00 0.00 O ATOM 0 H GLY A 94 0.894 5.190 -11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.198 2.625 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.235 3.982 -13.263 1.00 0.00 H new ATOM 1453 N SER A 95 3.924 4.259 -13.106 1.00 0.00 N ATOM 1454 CA SER A 95 5.326 4.083 -13.464 1.00 0.00 C ATOM 1455 C SER A 95 6.076 3.331 -12.369 1.00 0.00 C ATOM 1456 O SER A 95 6.762 2.345 -12.637 1.00 0.00 O ATOM 1457 CB SER A 95 5.986 5.442 -13.708 1.00 0.00 C ATOM 1458 OG SER A 95 5.808 5.862 -15.050 1.00 0.00 O ATOM 0 H SER A 95 3.589 5.220 -13.171 1.00 0.00 H new ATOM 0 HA SER A 95 5.370 3.495 -14.381 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.560 6.183 -13.032 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.050 5.379 -13.482 1.00 0.00 H new ATOM 0 HG SER A 95 6.237 6.733 -15.180 1.00 0.00 H new ATOM 1464 N MET A 96 5.940 3.804 -11.135 1.00 0.00 N ATOM 1465 CA MET A 96 6.603 3.175 -9.998 1.00 0.00 C ATOM 1466 C MET A 96 6.389 1.665 -10.012 1.00 0.00 C ATOM 1467 O MET A 96 7.335 0.893 -9.851 1.00 0.00 O ATOM 1468 CB MET A 96 6.081 3.764 -8.686 1.00 0.00 C ATOM 1469 CG MET A 96 6.866 3.316 -7.464 1.00 0.00 C ATOM 1470 SD MET A 96 6.344 4.156 -5.957 1.00 0.00 S ATOM 1471 CE MET A 96 4.631 3.643 -5.860 1.00 0.00 C ATOM 0 H MET A 96 5.377 4.620 -10.896 1.00 0.00 H new ATOM 0 HA MET A 96 7.672 3.374 -10.077 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.111 4.852 -8.748 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.036 3.481 -8.560 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.748 2.240 -7.335 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.927 3.502 -7.630 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.250 3.836 -4.857 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.042 4.203 -6.586 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.557 2.577 -6.078 1.00 0.00 H new ATOM 1481 N VAL A 97 5.141 1.249 -10.203 1.00 0.00 N ATOM 1482 CA VAL A 97 4.804 -0.169 -10.238 1.00 0.00 C ATOM 1483 C VAL A 97 5.586 -0.893 -11.329 1.00 0.00 C ATOM 1484 O VAL A 97 6.171 -1.948 -11.090 1.00 0.00 O ATOM 1485 CB VAL A 97 3.297 -0.382 -10.474 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.952 -1.862 -10.420 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.483 0.402 -9.455 1.00 0.00 C ATOM 0 H VAL A 97 4.346 1.874 -10.336 1.00 0.00 H new ATOM 0 HA VAL A 97 5.074 -0.583 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 97 3.046 -0.012 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.883 -1.993 -10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.509 -2.394 -11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.216 -2.262 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.420 0.240 -9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.735 0.064 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.709 1.464 -9.548 1.00 0.00 H new ATOM 1497 N GLU A 98 5.590 -0.317 -12.527 1.00 0.00 N ATOM 1498 CA GLU A 98 6.300 -0.908 -13.655 1.00 0.00 C ATOM 1499 C GLU A 98 7.807 -0.893 -13.418 1.00 0.00 C ATOM 1500 O GLU A 98 8.536 -1.745 -13.929 1.00 0.00 O ATOM 1501 CB GLU A 98 5.968 -0.157 -14.946 1.00 0.00 C ATOM 1502 CG GLU A 98 4.586 0.475 -14.945 1.00 0.00 C ATOM 1503 CD GLU A 98 3.980 0.555 -16.332 1.00 0.00 C ATOM 1504 OE1 GLU A 98 3.692 -0.509 -16.918 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.794 1.684 -16.833 1.00 0.00 O ATOM 0 H GLU A 98 5.110 0.557 -12.741 1.00 0.00 H new ATOM 0 HA GLU A 98 5.975 -1.944 -13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.714 0.621 -15.105 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.042 -0.847 -15.787 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.927 -0.103 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.649 1.478 -14.522 1.00 0.00 H new ATOM 1512 N HIS A 99 8.268 0.081 -12.640 1.00 0.00 N ATOM 1513 CA HIS A 99 9.689 0.208 -12.335 1.00 0.00 C ATOM 1514 C HIS A 99 10.134 -0.876 -11.358 1.00 0.00 C ATOM 1515 O HIS A 99 11.139 -1.552 -11.580 1.00 0.00 O ATOM 1516 CB HIS A 99 9.985 1.590 -11.750 1.00 0.00 C ATOM 1517 CG HIS A 99 11.230 1.634 -10.919 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.513 1.074 -9.719 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.365 2.319 -11.298 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.801 1.427 -9.400 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.293 2.177 -10.369 1.00 0.00 N flip ATOM 0 H HIS A 99 7.679 0.794 -12.209 1.00 0.00 H new ATOM 0 HA HIS A 99 10.247 0.087 -13.264 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.076 2.308 -12.565 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.139 1.906 -11.139 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.886 0.498 -9.157 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.478 2.884 -12.212 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.327 1.138 -8.502 1.00 0.00 H new ATOM 1530 N TYR A 100 9.380 -1.037 -10.276 1.00 0.00 N ATOM 1531 CA TYR A 100 9.698 -2.036 -9.264 1.00 0.00 C ATOM 1532 C TYR A 100 9.561 -3.447 -9.829 1.00 0.00 C ATOM 1533 O TYR A 100 10.229 -4.377 -9.377 1.00 0.00 O ATOM 1534 CB TYR A 100 8.784 -1.871 -8.049 1.00 0.00 C ATOM 1535 CG TYR A 100 9.107 -0.657 -7.208 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.422 -0.327 -6.905 1.00 0.00 C ATOM 1537 CD2 TYR A 100 8.097 0.161 -6.717 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.722 0.781 -6.138 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.388 1.272 -5.949 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.702 1.578 -5.662 1.00 0.00 C ATOM 1541 OH TYR A 100 9.996 2.683 -4.897 1.00 0.00 O ATOM 0 H TYR A 100 8.544 -0.488 -10.078 1.00 0.00 H new ATOM 0 HA TYR A 100 10.733 -1.886 -8.955 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.751 -1.802 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.856 -2.763 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.224 -0.948 -7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.067 -0.076 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.750 1.022 -5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.591 1.898 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 100 9.309 3.368 -5.035 1.00 0.00 H new ATOM 1551 N HIS A 101 8.691 -3.597 -10.823 1.00 0.00 N ATOM 1552 CA HIS A 101 8.466 -4.894 -11.453 1.00 0.00 C ATOM 1553 C HIS A 101 9.788 -5.617 -11.694 1.00 0.00 C ATOM 1554 O HIS A 101 9.837 -6.847 -11.734 1.00 0.00 O ATOM 1555 CB HIS A 101 7.718 -4.719 -12.774 1.00 0.00 C ATOM 1556 CG HIS A 101 6.228 -4.787 -12.633 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.379 -4.982 -13.701 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.437 -4.685 -11.539 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.130 -4.996 -13.271 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.138 -4.819 -11.962 1.00 0.00 N ATOM 0 H HIS A 101 8.131 -2.837 -11.209 1.00 0.00 H new ATOM 0 HA HIS A 101 7.860 -5.499 -10.779 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.990 -3.758 -13.211 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.044 -5.490 -13.472 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.767 -4.528 -10.523 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.252 -5.129 -13.885 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.313 -4.787 -11.363 1.00 0.00 H new ATOM 1569 N THR A 102 10.858 -4.845 -11.857 1.00 0.00 N ATOM 1570 CA THR A 102 12.179 -5.411 -12.096 1.00 0.00 C ATOM 1571 C THR A 102 13.123 -5.117 -10.935 1.00 0.00 C ATOM 1572 O THR A 102 14.095 -5.840 -10.714 1.00 0.00 O ATOM 1573 CB THR A 102 12.798 -4.863 -13.397 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.008 -3.452 -13.282 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.897 -5.152 -14.588 1.00 0.00 C ATOM 0 H THR A 102 10.835 -3.826 -11.828 1.00 0.00 H new ATOM 0 HA THR A 102 12.048 -6.489 -12.190 1.00 0.00 H new ATOM 0 HB THR A 102 13.755 -5.360 -13.557 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.403 -3.111 -14.112 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.354 -4.756 -15.495 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.763 -6.229 -14.690 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.927 -4.678 -14.434 1.00 0.00 H new ATOM 1583 N HIS A 103 12.830 -4.052 -10.196 1.00 0.00 N ATOM 1584 CA HIS A 103 13.652 -3.663 -9.056 1.00 0.00 C ATOM 1585 C HIS A 103 12.928 -3.947 -7.743 1.00 0.00 C ATOM 1586 O HIS A 103 12.169 -3.114 -7.248 1.00 0.00 O ATOM 1587 CB HIS A 103 14.013 -2.180 -9.142 1.00 0.00 C ATOM 1588 CG HIS A 103 15.268 -1.913 -9.915 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.064 -0.808 -9.700 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.864 -2.617 -10.906 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.094 -0.843 -10.526 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.996 -1.931 -11.269 1.00 0.00 N ATOM 0 H HIS A 103 12.030 -3.443 -10.366 1.00 0.00 H new ATOM 0 HA HIS A 103 14.568 -4.254 -9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.188 -1.640 -9.607 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.126 -1.783 -8.133 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.514 -3.546 -11.332 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.882 -0.107 -10.584 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.654 -2.215 -11.994 1.00 0.00 H new ATOM 1601 N VAL A 104 13.169 -5.129 -7.184 1.00 0.00 N ATOM 1602 CA VAL A 104 12.541 -5.523 -5.928 1.00 0.00 C ATOM 1603 C VAL A 104 12.446 -4.342 -4.968 1.00 0.00 C ATOM 1604 O VAL A 104 13.303 -3.458 -4.966 1.00 0.00 O ATOM 1605 CB VAL A 104 13.317 -6.664 -5.246 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.817 -6.433 -5.359 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.899 -6.797 -3.789 1.00 0.00 C ATOM 0 H VAL A 104 13.794 -5.830 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 104 11.537 -5.872 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 104 13.078 -7.597 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.349 -7.250 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.101 -6.392 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.077 -5.491 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.458 -7.608 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.107 -5.865 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.832 -7.013 -3.735 1.00 0.00 H new ATOM 1617 N LEU A 105 11.398 -4.335 -4.151 1.00 0.00 N ATOM 1618 CA LEU A 105 11.190 -3.263 -3.183 1.00 0.00 C ATOM 1619 C LEU A 105 12.187 -3.367 -2.033 1.00 0.00 C ATOM 1620 O LEU A 105 12.722 -4.435 -1.737 1.00 0.00 O ATOM 1621 CB LEU A 105 9.761 -3.310 -2.640 1.00 0.00 C ATOM 1622 CG LEU A 105 8.667 -3.642 -3.656 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.403 -4.104 -2.948 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.376 -2.437 -4.539 1.00 0.00 C ATOM 0 H LEU A 105 10.680 -5.059 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 105 11.348 -2.312 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.722 -4.049 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.532 -2.343 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 105 9.021 -4.455 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.636 -4.336 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.621 -4.995 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.045 -3.313 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.595 -2.691 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.043 -1.604 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.281 -2.151 -5.075 1.00 0.00 H new ATOM 1636 N PRO A 106 12.441 -2.231 -1.366 1.00 0.00 N ATOM 1637 CA PRO A 106 13.372 -2.169 -0.236 1.00 0.00 C ATOM 1638 C PRO A 106 12.837 -2.888 0.997 1.00 0.00 C ATOM 1639 O PRO A 106 11.631 -3.097 1.131 1.00 0.00 O ATOM 1640 CB PRO A 106 13.502 -0.668 0.035 1.00 0.00 C ATOM 1641 CG PRO A 106 12.234 -0.079 -0.482 1.00 0.00 C ATOM 1642 CD PRO A 106 11.839 -0.921 -1.663 1.00 0.00 C ATOM 0 HA PRO A 106 14.319 -2.659 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.627 -0.467 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.370 -0.248 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.458 -0.091 0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.377 0.961 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.756 -0.990 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.219 -0.507 -2.597 1.00 0.00 H new ATOM 1650 N SER A 107 13.740 -3.264 1.897 1.00 0.00 N ATOM 1651 CA SER A 107 13.358 -3.964 3.118 1.00 0.00 C ATOM 1652 C SER A 107 13.003 -5.418 2.823 1.00 0.00 C ATOM 1653 O SER A 107 12.246 -6.047 3.563 1.00 0.00 O ATOM 1654 CB SER A 107 12.172 -3.262 3.783 1.00 0.00 C ATOM 1655 OG SER A 107 12.326 -1.854 3.745 1.00 0.00 O ATOM 0 H SER A 107 14.742 -3.096 1.804 1.00 0.00 H new ATOM 0 HA SER A 107 14.209 -3.948 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.248 -3.544 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.083 -3.593 4.818 1.00 0.00 H new ATOM 0 HG SER A 107 11.555 -1.429 4.175 1.00 0.00 H new ATOM 1661 N HIS A 108 13.555 -5.946 1.735 1.00 0.00 N ATOM 1662 CA HIS A 108 13.298 -7.327 1.341 1.00 0.00 C ATOM 1663 C HIS A 108 14.415 -7.853 0.444 1.00 0.00 C ATOM 1664 O HIS A 108 15.406 -7.164 0.204 1.00 0.00 O ATOM 1665 CB HIS A 108 11.955 -7.431 0.617 1.00 0.00 C ATOM 1666 CG HIS A 108 11.222 -8.707 0.897 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.315 -9.821 0.090 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.380 -9.041 1.903 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.561 -10.785 0.587 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.983 -10.338 1.687 1.00 0.00 N ATOM 0 H HIS A 108 14.183 -5.439 1.111 1.00 0.00 H new ATOM 0 HA HIS A 108 13.264 -7.936 2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.327 -6.589 0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.123 -7.346 -0.457 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.878 -9.890 -0.758 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.077 -8.406 2.722 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.438 -11.772 0.165 1.00 0.00 H new ATOM 1679 N GLN A 109 14.247 -9.076 -0.047 1.00 0.00 N ATOM 1680 CA GLN A 109 15.242 -9.694 -0.915 1.00 0.00 C ATOM 1681 C GLN A 109 14.705 -9.848 -2.335 1.00 0.00 C ATOM 1682 O GLN A 109 15.297 -9.348 -3.291 1.00 0.00 O ATOM 1683 CB GLN A 109 15.655 -11.059 -0.363 1.00 0.00 C ATOM 1684 CG GLN A 109 14.487 -12.011 -0.157 1.00 0.00 C ATOM 1685 CD GLN A 109 14.810 -13.129 0.815 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.534 -12.930 1.790 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.273 -14.315 0.552 1.00 0.00 N ATOM 0 H GLN A 109 13.431 -9.659 0.141 1.00 0.00 H new ATOM 0 HA GLN A 109 16.116 -9.043 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.370 -11.517 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.169 -10.917 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.628 -11.451 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.200 -12.441 -1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.678 -14.435 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.455 -15.106 1.170 1.00 0.00 H new ATOM 1696 N SER A 110 13.579 -10.543 -2.464 1.00 0.00 N ATOM 1697 CA SER A 110 12.964 -10.766 -3.767 1.00 0.00 C ATOM 1698 C SER A 110 11.459 -10.525 -3.706 1.00 0.00 C ATOM 1699 O SER A 110 10.663 -11.405 -4.038 1.00 0.00 O ATOM 1700 CB SER A 110 13.245 -12.191 -4.250 1.00 0.00 C ATOM 1701 OG SER A 110 14.630 -12.483 -4.198 1.00 0.00 O ATOM 0 H SER A 110 13.075 -10.961 -1.682 1.00 0.00 H new ATOM 0 HA SER A 110 13.399 -10.058 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.697 -12.902 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.883 -12.310 -5.271 1.00 0.00 H new ATOM 0 HG SER A 110 14.783 -13.399 -4.510 1.00 0.00 H new ATOM 1707 N LEU A 111 11.075 -9.327 -3.280 1.00 0.00 N ATOM 1708 CA LEU A 111 9.665 -8.968 -3.175 1.00 0.00 C ATOM 1709 C LEU A 111 9.267 -7.994 -4.280 1.00 0.00 C ATOM 1710 O LEU A 111 9.454 -6.784 -4.153 1.00 0.00 O ATOM 1711 CB LEU A 111 9.377 -8.349 -1.806 1.00 0.00 C ATOM 1712 CG LEU A 111 7.986 -7.740 -1.624 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.909 -8.755 -1.975 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.805 -7.240 -0.198 1.00 0.00 C ATOM 0 H LEU A 111 11.720 -8.588 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 111 9.075 -9.877 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.518 -9.117 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.119 -7.573 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 111 7.891 -6.891 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.926 -8.304 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.026 -9.065 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.002 -9.624 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.810 -6.810 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.920 -8.072 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.555 -6.479 0.019 1.00 0.00 H new ATOM 1726 N LEU A 112 8.716 -8.531 -5.363 1.00 0.00 N ATOM 1727 CA LEU A 112 8.289 -7.709 -6.490 1.00 0.00 C ATOM 1728 C LEU A 112 6.767 -7.670 -6.590 1.00 0.00 C ATOM 1729 O LEU A 112 6.071 -8.448 -5.936 1.00 0.00 O ATOM 1730 CB LEU A 112 8.883 -8.248 -7.793 1.00 0.00 C ATOM 1731 CG LEU A 112 10.406 -8.379 -7.832 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.819 -9.546 -8.715 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.040 -7.086 -8.325 1.00 0.00 C ATOM 0 H LEU A 112 8.555 -9.531 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 112 8.650 -6.694 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.449 -9.228 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.574 -7.594 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 112 10.761 -8.572 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.906 -9.624 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.395 -10.469 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.452 -9.383 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.124 -7.197 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.678 -6.863 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.772 -6.270 -7.653 1.00 0.00 H new ATOM 1745 N LEU A 113 6.257 -6.762 -7.414 1.00 0.00 N ATOM 1746 CA LEU A 113 4.817 -6.623 -7.602 1.00 0.00 C ATOM 1747 C LEU A 113 4.338 -7.458 -8.784 1.00 0.00 C ATOM 1748 O LEU A 113 4.566 -7.103 -9.941 1.00 0.00 O ATOM 1749 CB LEU A 113 4.450 -5.153 -7.819 1.00 0.00 C ATOM 1750 CG LEU A 113 5.004 -4.165 -6.793 1.00 0.00 C ATOM 1751 CD1 LEU A 113 5.097 -2.770 -7.392 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.137 -4.153 -5.542 1.00 0.00 C ATOM 0 H LEU A 113 6.819 -6.111 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 113 4.322 -6.986 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.800 -4.854 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.363 -5.068 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 113 6.007 -4.486 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.493 -2.080 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.759 -2.789 -8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.105 -2.440 -7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.546 -3.444 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.122 -3.857 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.121 -5.150 -5.101 1.00 0.00 H new ATOM 1764 N ARG A 114 3.673 -8.570 -8.487 1.00 0.00 N ATOM 1765 CA ARG A 114 3.162 -9.456 -9.526 1.00 0.00 C ATOM 1766 C ARG A 114 1.707 -9.128 -9.852 1.00 0.00 C ATOM 1767 O ARG A 114 1.380 -8.767 -10.983 1.00 0.00 O ATOM 1768 CB ARG A 114 3.281 -10.915 -9.085 1.00 0.00 C ATOM 1769 CG ARG A 114 4.710 -11.433 -9.070 1.00 0.00 C ATOM 1770 CD ARG A 114 4.893 -12.536 -8.039 1.00 0.00 C ATOM 1771 NE ARG A 114 3.980 -13.654 -8.266 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.230 -14.646 -9.113 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.358 -14.659 -9.810 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.350 -15.628 -9.264 1.00 0.00 N ATOM 0 H ARG A 114 3.476 -8.879 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 114 3.761 -9.306 -10.424 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.855 -11.020 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.685 -11.537 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.971 -11.811 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.393 -10.612 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.922 -12.895 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.728 -12.130 -7.041 1.00 0.00 H new ATOM 0 HE ARG A 114 3.103 -13.674 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.036 -13.906 -9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.547 -15.422 -10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.481 -15.621 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.542 -16.390 -9.915 1.00 0.00 H new ATOM 1788 N HIS A 115 0.839 -9.258 -8.854 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.581 -8.976 -9.035 1.00 0.00 C ATOM 1790 C HIS A 115 -1.092 -8.040 -7.944 1.00 0.00 C ATOM 1791 O HIS A 115 -0.793 -8.204 -6.761 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.386 -10.276 -9.026 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.623 -11.456 -9.543 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.655 -11.854 -10.863 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.198 -12.327 -8.910 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.111 -12.918 -11.019 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.641 -13.225 -9.849 1.00 0.00 N ATOM 0 H HIS A 115 1.093 -9.556 -7.912 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.709 -8.485 -10.000 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.714 -10.484 -8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.284 -10.142 -9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.456 -12.317 -7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.276 -13.447 -11.946 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.276 -14.003 -9.672 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.881 -7.034 -8.348 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.450 -6.051 -7.421 1.00 0.00 C ATOM 1808 C PRO A 116 -3.519 -6.658 -6.519 1.00 0.00 C ATOM 1809 O PRO A 116 -3.838 -7.842 -6.627 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.065 -5.001 -8.349 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.356 -5.736 -9.612 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.279 -6.777 -9.743 1.00 0.00 C ATOM 0 HA PRO A 116 -1.699 -5.649 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.973 -4.576 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.377 -4.174 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.343 -6.198 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.351 -5.060 -10.467 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.650 -7.680 -10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.441 -6.416 -10.340 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.071 -5.839 -5.630 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.104 -6.295 -4.708 1.00 0.00 C ATOM 1822 C TYR A 117 -6.495 -6.059 -5.288 1.00 0.00 C ATOM 1823 O TYR A 117 -6.706 -5.129 -6.066 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.971 -5.577 -3.364 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.244 -5.580 -2.548 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.824 -6.772 -2.133 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.866 -4.390 -2.190 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.987 -6.779 -1.387 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -8.028 -4.387 -1.444 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.585 -5.585 -1.045 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.743 -5.588 -0.301 1.00 0.00 O ATOM 0 H TYR A 117 -3.820 -4.856 -5.529 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.971 -7.366 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.177 -6.050 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.665 -4.546 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.358 -7.709 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.433 -3.451 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.425 -7.715 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.498 -3.453 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.034 -4.665 -0.145 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.442 -6.909 -4.903 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.802 -6.777 -5.393 1.00 0.00 C ATOM 1843 C GLY A 118 -8.893 -6.933 -6.898 1.00 0.00 C ATOM 1844 O GLY A 118 -9.861 -6.490 -7.518 1.00 0.00 O ATOM 0 H GLY A 118 -7.292 -7.687 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.432 -7.527 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.195 -5.801 -5.107 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.883 -7.563 -7.488 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.852 -7.772 -8.931 1.00 0.00 C ATOM 1850 C TYR A 119 -7.862 -9.261 -9.265 1.00 0.00 C ATOM 1851 O TYR A 119 -7.318 -10.081 -8.524 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.613 -7.111 -9.537 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.518 -7.263 -11.038 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.084 -6.321 -11.889 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -5.862 -8.348 -11.606 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.000 -6.456 -13.261 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -5.772 -8.490 -12.977 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.343 -7.542 -13.800 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.257 -7.680 -15.167 1.00 0.00 O ATOM 0 H TYR A 119 -7.076 -7.938 -6.990 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.745 -7.315 -9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.619 -6.050 -9.287 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.722 -7.541 -9.080 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.598 -5.469 -11.470 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.415 -9.093 -10.965 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.446 -5.715 -13.908 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.257 -9.339 -13.402 1.00 0.00 H new ATOM 0 HH TYR A 119 -5.762 -8.498 -15.383 1.00 0.00 H new ATOM 1869 N THR A 120 -8.485 -9.604 -10.389 1.00 0.00 N ATOM 1870 CA THR A 120 -8.568 -10.993 -10.823 1.00 0.00 C ATOM 1871 C THR A 120 -7.681 -11.243 -12.037 1.00 0.00 C ATOM 1872 O THR A 120 -7.768 -10.531 -13.038 1.00 0.00 O ATOM 1873 CB THR A 120 -10.016 -11.388 -11.169 1.00 0.00 C ATOM 1874 OG1 THR A 120 -10.090 -12.793 -11.434 1.00 0.00 O ATOM 1875 CG2 THR A 120 -10.515 -10.611 -12.378 1.00 0.00 C ATOM 0 H THR A 120 -8.939 -8.939 -11.015 1.00 0.00 H new ATOM 0 HA THR A 120 -8.221 -11.606 -9.991 1.00 0.00 H new ATOM 0 HB THR A 120 -10.649 -11.146 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.014 -13.037 -11.651 1.00 0.00 H new ATOM 0 HG21 THR A 120 -11.540 -10.907 -12.603 1.00 0.00 H new ATOM 0 HG22 THR A 120 -10.485 -9.543 -12.162 1.00 0.00 H new ATOM 0 HG23 THR A 120 -9.878 -10.825 -13.236 1.00 0.00 H new ATOM 1883 N SER A 121 -6.829 -12.259 -11.943 1.00 0.00 N ATOM 1884 CA SER A 121 -5.923 -12.601 -13.034 1.00 0.00 C ATOM 1885 C SER A 121 -6.052 -14.075 -13.405 1.00 0.00 C ATOM 1886 O SER A 121 -5.549 -14.950 -12.702 1.00 0.00 O ATOM 1887 CB SER A 121 -4.478 -12.286 -12.643 1.00 0.00 C ATOM 1888 OG SER A 121 -4.027 -13.154 -11.617 1.00 0.00 O ATOM 0 H SER A 121 -6.747 -12.860 -11.123 1.00 0.00 H new ATOM 0 HA SER A 121 -6.196 -12.001 -13.902 1.00 0.00 H new ATOM 0 HB2 SER A 121 -3.832 -12.383 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.406 -11.252 -12.307 1.00 0.00 H new ATOM 0 HG SER A 121 -4.612 -13.939 -11.572 1.00 0.00 H new ATOM 1894 N GLY A 122 -6.731 -14.341 -14.517 1.00 0.00 N ATOM 1895 CA GLY A 122 -6.915 -15.710 -14.963 1.00 0.00 C ATOM 1896 C GLY A 122 -8.336 -15.986 -15.415 1.00 0.00 C ATOM 1897 O GLY A 122 -9.258 -16.090 -14.606 1.00 0.00 O ATOM 0 H GLY A 122 -7.156 -13.634 -15.116 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -6.229 -15.917 -15.784 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.656 -16.391 -14.152 1.00 0.00 H new ATOM 1901 N PRO A 123 -8.527 -16.109 -16.737 1.00 0.00 N ATOM 1902 CA PRO A 123 -9.843 -16.376 -17.325 1.00 0.00 C ATOM 1903 C PRO A 123 -10.338 -17.786 -17.023 1.00 0.00 C ATOM 1904 O PRO A 123 -11.447 -18.159 -17.403 1.00 0.00 O ATOM 1905 CB PRO A 123 -9.602 -16.203 -18.826 1.00 0.00 C ATOM 1906 CG PRO A 123 -8.151 -16.481 -19.012 1.00 0.00 C ATOM 1907 CD PRO A 123 -7.473 -15.997 -17.759 1.00 0.00 C ATOM 0 HA PRO A 123 -10.611 -15.714 -16.924 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -10.215 -16.892 -19.407 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -9.857 -15.195 -19.154 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -7.974 -17.546 -19.165 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -7.764 -15.964 -19.890 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -6.605 -16.608 -17.510 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -7.121 -14.971 -17.863 1.00 0.00 H new ATOM 1915 N SER A 124 -9.508 -18.565 -16.338 1.00 0.00 N ATOM 1916 CA SER A 124 -9.860 -19.937 -15.988 1.00 0.00 C ATOM 1917 C SER A 124 -10.223 -20.044 -14.510 1.00 0.00 C ATOM 1918 O SER A 124 -9.378 -19.852 -13.636 1.00 0.00 O ATOM 1919 CB SER A 124 -8.700 -20.881 -16.310 1.00 0.00 C ATOM 1920 OG SER A 124 -7.627 -20.698 -15.403 1.00 0.00 O ATOM 0 H SER A 124 -8.587 -18.270 -16.014 1.00 0.00 H new ATOM 0 HA SER A 124 -10.729 -20.226 -16.579 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.045 -21.914 -16.267 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.354 -20.703 -17.328 1.00 0.00 H new ATOM 0 HG SER A 124 -7.932 -20.166 -14.639 1.00 0.00 H new ATOM 1926 N SER A 125 -11.488 -20.353 -14.239 1.00 0.00 N ATOM 1927 CA SER A 125 -11.966 -20.483 -12.868 1.00 0.00 C ATOM 1928 C SER A 125 -11.102 -21.465 -12.082 1.00 0.00 C ATOM 1929 O SER A 125 -10.248 -22.148 -12.647 1.00 0.00 O ATOM 1930 CB SER A 125 -13.424 -20.944 -12.855 1.00 0.00 C ATOM 1931 OG SER A 125 -13.522 -22.333 -13.118 1.00 0.00 O ATOM 0 H SER A 125 -12.199 -20.518 -14.951 1.00 0.00 H new ATOM 0 HA SER A 125 -11.898 -19.505 -12.392 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.870 -20.722 -11.886 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.991 -20.388 -13.602 1.00 0.00 H new ATOM 0 HG SER A 125 -14.464 -22.603 -13.102 1.00 0.00 H new ATOM 1937 N GLY A 126 -11.332 -21.531 -10.774 1.00 0.00 N ATOM 1938 CA GLY A 126 -10.569 -22.432 -9.931 1.00 0.00 C ATOM 1939 C GLY A 126 -9.921 -21.721 -8.760 1.00 0.00 C ATOM 1940 O GLY A 126 -10.506 -21.628 -7.681 1.00 0.00 O ATOM 0 H GLY A 126 -12.033 -20.976 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -11.225 -23.218 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -9.798 -22.918 -10.529 1.00 0.00 H new TER 1944 GLY A 126