USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 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 45 GLN :FLIP amide:sc= -0.138 F(o=-3.4,f=-1.6) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0992 K(o=-1.6,f=-3.3) USER MOD Set 1.3: A 68 TYR OH : rot 180:sc= -1.33 USER MOD Set 2.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.155 F(o=-1,f=-0.15) USER MOD Single : A 10 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.61) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.16) USER MOD Single : A 26 SER OG : rot 180:sc= 0.019 USER MOD Single : A 28 SER OG : rot -117:sc= -1.01 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= -0.0578 (180deg=-0.0578) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.88 K(o=-0.88,f=-2.6!) USER MOD Single : A 51 TYR OH : rot -149:sc= 0.667 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -110:sc= 0.44 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN :FLIP amide:sc= 0.282 F(o=-0.28,f=0.28) USER MOD Single : A 83 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= -0.133 (180deg=-0.6) USER MOD Single : A 89 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 32:sc= 1.05 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.0568 K(o=0.057,f=-1.1) USER MOD Single : A 105 ASN : amide:sc= -0.255 K(o=-0.26,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.014 11.088 28.548 1.00 0.00 N ATOM 2 CA GLY A 1 -34.420 10.596 28.540 1.00 0.00 C ATOM 3 C GLY A 1 -34.546 9.192 29.101 1.00 0.00 C ATOM 4 O GLY A 1 -34.727 9.017 30.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.981 12.050 28.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.656 11.100 29.524 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.422 10.458 27.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.043 11.274 29.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.802 10.612 27.519 1.00 0.00 H new ATOM 10 N PRO A 2 -34.454 8.160 28.244 1.00 0.00 N ATOM 11 CA PRO A 2 -34.562 6.763 28.676 1.00 0.00 C ATOM 12 C PRO A 2 -33.349 6.312 29.484 1.00 0.00 C ATOM 13 O PRO A 2 -32.285 6.929 29.421 1.00 0.00 O ATOM 14 CB PRO A 2 -34.644 5.989 27.358 1.00 0.00 C ATOM 15 CG PRO A 2 -33.956 6.860 26.365 1.00 0.00 C ATOM 16 CD PRO A 2 -34.238 8.276 26.790 1.00 0.00 C ATOM 0 HA PRO A 2 -35.417 6.604 29.333 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.156 5.018 27.438 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -35.679 5.803 27.072 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -32.884 6.663 26.350 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -34.329 6.673 25.358 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.404 8.938 26.559 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -35.115 8.680 26.284 1.00 0.00 H new ATOM 24 N GLY A 3 -33.518 5.235 30.243 1.00 0.00 N ATOM 25 CA GLY A 3 -32.429 4.719 31.053 1.00 0.00 C ATOM 26 C GLY A 3 -32.777 4.662 32.527 1.00 0.00 C ATOM 27 O GLY A 3 -33.279 5.636 33.091 1.00 0.00 O ATOM 0 H GLY A 3 -34.390 4.710 30.312 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -32.165 3.720 30.707 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -31.549 5.347 30.915 1.00 0.00 H new ATOM 31 N SER A 4 -32.511 3.521 33.153 1.00 0.00 N ATOM 32 CA SER A 4 -32.800 3.340 34.571 1.00 0.00 C ATOM 33 C SER A 4 -31.968 2.203 35.155 1.00 0.00 C ATOM 34 O SER A 4 -32.450 1.080 35.302 1.00 0.00 O ATOM 35 CB SER A 4 -34.289 3.056 34.778 1.00 0.00 C ATOM 36 OG SER A 4 -34.853 2.433 33.637 1.00 0.00 O ATOM 0 H SER A 4 -32.095 2.707 32.701 1.00 0.00 H new ATOM 0 HA SER A 4 -32.538 4.262 35.090 1.00 0.00 H new ATOM 0 HB2 SER A 4 -34.422 2.415 35.649 1.00 0.00 H new ATOM 0 HB3 SER A 4 -34.815 3.988 34.984 1.00 0.00 H new ATOM 0 HG SER A 4 -35.805 2.261 33.795 1.00 0.00 H new ATOM 42 N LEU A 5 -30.717 2.504 35.487 1.00 0.00 N ATOM 43 CA LEU A 5 -29.818 1.506 36.055 1.00 0.00 C ATOM 44 C LEU A 5 -29.131 2.044 37.307 1.00 0.00 C ATOM 45 O LEU A 5 -29.362 3.183 37.713 1.00 0.00 O ATOM 46 CB LEU A 5 -28.768 1.089 35.024 1.00 0.00 C ATOM 47 CG LEU A 5 -27.872 2.220 34.518 1.00 0.00 C ATOM 48 CD1 LEU A 5 -26.557 2.240 35.282 1.00 0.00 C ATOM 49 CD2 LEU A 5 -27.620 2.075 33.024 1.00 0.00 C ATOM 0 H LEU A 5 -30.303 3.429 35.373 1.00 0.00 H new ATOM 0 HA LEU A 5 -30.411 0.635 36.332 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -28.138 0.315 35.463 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -29.277 0.640 34.171 1.00 0.00 H new ATOM 0 HG LEU A 5 -28.384 3.167 34.689 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -25.932 3.051 34.909 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -26.755 2.393 36.343 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -26.041 1.290 35.143 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -26.981 2.889 32.682 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -27.129 1.121 32.829 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -28.569 2.111 32.490 1.00 0.00 H new ATOM 61 N SER A 6 -28.286 1.216 37.914 1.00 0.00 N ATOM 62 CA SER A 6 -27.567 1.608 39.119 1.00 0.00 C ATOM 63 C SER A 6 -26.092 1.232 39.019 1.00 0.00 C ATOM 64 O SER A 6 -25.704 0.107 39.330 1.00 0.00 O ATOM 65 CB SER A 6 -28.191 0.946 40.350 1.00 0.00 C ATOM 66 OG SER A 6 -28.100 1.788 41.485 1.00 0.00 O ATOM 0 H SER A 6 -28.083 0.270 37.590 1.00 0.00 H new ATOM 0 HA SER A 6 -27.642 2.691 39.220 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.237 0.712 40.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.687 0.001 40.553 1.00 0.00 H new ATOM 0 HG SER A 6 -28.507 1.342 42.257 1.00 0.00 H new ATOM 72 N ASN A 7 -25.273 2.185 38.581 1.00 0.00 N ATOM 73 CA ASN A 7 -23.840 1.955 38.440 1.00 0.00 C ATOM 74 C ASN A 7 -23.056 3.239 38.688 1.00 0.00 C ATOM 75 O ASN A 7 -23.607 4.338 38.620 1.00 0.00 O ATOM 76 CB ASN A 7 -23.525 1.415 37.043 1.00 0.00 C ATOM 77 CG ASN A 7 -23.564 -0.100 36.988 1.00 0.00 C ATOM 78 OD1 ASN A 7 -24.326 -0.638 36.043 1.00 0.00 O flip ATOM 79 ND2 ASN A 7 -22.915 -0.779 37.783 1.00 0.00 N flip ATOM 0 H ASN A 7 -25.578 3.122 38.318 1.00 0.00 H new ATOM 0 HA ASN A 7 -23.541 1.218 39.185 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -24.242 1.821 36.329 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -22.538 1.762 36.736 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -22.342 -0.324 38.494 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -22.950 -1.797 37.731 1.00 0.00 H new ATOM 86 N PHE A 8 -21.767 3.094 38.976 1.00 0.00 N ATOM 87 CA PHE A 8 -20.907 4.243 39.236 1.00 0.00 C ATOM 88 C PHE A 8 -19.530 4.044 38.610 1.00 0.00 C ATOM 89 O PHE A 8 -18.951 2.961 38.691 1.00 0.00 O ATOM 90 CB PHE A 8 -20.769 4.474 40.742 1.00 0.00 C ATOM 91 CG PHE A 8 -21.718 5.506 41.281 1.00 0.00 C ATOM 92 CD1 PHE A 8 -21.467 6.857 41.105 1.00 0.00 C ATOM 93 CD2 PHE A 8 -22.862 5.123 41.964 1.00 0.00 C ATOM 94 CE1 PHE A 8 -22.339 7.808 41.600 1.00 0.00 C ATOM 95 CE2 PHE A 8 -23.738 6.071 42.460 1.00 0.00 C ATOM 96 CZ PHE A 8 -23.476 7.415 42.279 1.00 0.00 C ATOM 0 H PHE A 8 -21.295 2.192 39.035 1.00 0.00 H new ATOM 0 HA PHE A 8 -21.368 5.121 38.783 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -20.937 3.531 41.263 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -19.747 4.782 40.962 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -20.580 7.171 40.575 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -23.071 4.074 42.110 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -22.132 8.858 41.456 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -24.627 5.761 42.989 1.00 0.00 H new ATOM 0 HZ PHE A 8 -24.158 8.157 42.667 1.00 0.00 H new ATOM 106 N ALA A 9 -19.011 5.098 37.988 1.00 0.00 N ATOM 107 CA ALA A 9 -17.702 5.040 37.349 1.00 0.00 C ATOM 108 C ALA A 9 -17.671 3.973 36.258 1.00 0.00 C ATOM 109 O ALA A 9 -17.279 2.832 36.504 1.00 0.00 O ATOM 110 CB ALA A 9 -16.621 4.772 38.384 1.00 0.00 C ATOM 0 H ALA A 9 -19.477 6.002 37.913 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.509 6.006 36.882 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.649 4.731 37.893 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.620 5.572 39.125 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.818 3.820 38.878 1.00 0.00 H new ATOM 116 N ASN A 10 -18.086 4.353 35.054 1.00 0.00 N ATOM 117 CA ASN A 10 -18.105 3.429 33.926 1.00 0.00 C ATOM 118 C ASN A 10 -17.371 4.021 32.727 1.00 0.00 C ATOM 119 O ASN A 10 -17.981 4.344 31.708 1.00 0.00 O ATOM 120 CB ASN A 10 -19.548 3.091 33.542 1.00 0.00 C ATOM 121 CG ASN A 10 -20.395 4.329 33.327 1.00 0.00 C ATOM 122 OD1 ASN A 10 -20.534 4.813 32.204 1.00 0.00 O ATOM 123 ND2 ASN A 10 -20.967 4.850 34.407 1.00 0.00 N ATOM 0 H ASN A 10 -18.413 5.294 34.834 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.593 2.515 34.227 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -19.548 2.492 32.631 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.996 2.480 34.326 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -21.548 5.684 34.324 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -20.825 4.416 35.319 1.00 0.00 H new ATOM 130 N VAL A 11 -16.056 4.159 32.856 1.00 0.00 N ATOM 131 CA VAL A 11 -15.237 4.712 31.783 1.00 0.00 C ATOM 132 C VAL A 11 -13.909 3.970 31.667 1.00 0.00 C ATOM 133 O VAL A 11 -12.885 4.558 31.320 1.00 0.00 O ATOM 134 CB VAL A 11 -14.956 6.211 32.002 1.00 0.00 C ATOM 135 CG1 VAL A 11 -14.347 6.831 30.754 1.00 0.00 C ATOM 136 CG2 VAL A 11 -16.231 6.941 32.401 1.00 0.00 C ATOM 0 H VAL A 11 -15.534 3.896 33.692 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.803 4.588 30.860 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.237 6.310 32.815 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.156 7.890 30.930 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.409 6.328 30.518 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.038 6.721 29.918 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.013 7.998 32.551 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.975 6.833 31.611 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.620 6.515 33.326 1.00 0.00 H new ATOM 146 N GLY A 12 -13.933 2.674 31.961 1.00 0.00 N ATOM 147 CA GLY A 12 -12.727 1.873 31.885 1.00 0.00 C ATOM 148 C GLY A 12 -12.477 1.332 30.492 1.00 0.00 C ATOM 149 O GLY A 12 -13.160 0.411 30.044 1.00 0.00 O ATOM 0 H GLY A 12 -14.768 2.164 32.251 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.874 2.476 32.196 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.802 1.042 32.586 1.00 0.00 H new ATOM 153 N VAL A 13 -11.494 1.903 29.804 1.00 0.00 N ATOM 154 CA VAL A 13 -11.154 1.474 28.454 1.00 0.00 C ATOM 155 C VAL A 13 -10.413 0.139 28.472 1.00 0.00 C ATOM 156 O VAL A 13 -9.419 -0.020 29.181 1.00 0.00 O ATOM 157 CB VAL A 13 -10.288 2.524 27.731 1.00 0.00 C ATOM 158 CG1 VAL A 13 -8.969 2.729 28.459 1.00 0.00 C ATOM 159 CG2 VAL A 13 -10.049 2.119 26.284 1.00 0.00 C ATOM 0 H VAL A 13 -10.918 2.666 30.161 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.093 1.357 27.913 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.827 3.471 27.735 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.374 3.474 27.931 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.164 3.073 29.475 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.422 1.787 28.494 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.436 2.874 25.792 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.535 1.158 26.255 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.005 2.035 25.767 1.00 0.00 H new ATOM 169 N GLY A 14 -10.904 -0.816 27.689 1.00 0.00 N ATOM 170 CA GLY A 14 -10.276 -2.123 27.631 1.00 0.00 C ATOM 171 C GLY A 14 -10.213 -2.675 26.221 1.00 0.00 C ATOM 172 O GLY A 14 -11.072 -3.461 25.817 1.00 0.00 O ATOM 0 H GLY A 14 -11.725 -0.708 27.094 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.267 -2.056 28.037 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.829 -2.816 28.265 1.00 0.00 H new ATOM 176 N THR A 15 -9.197 -2.264 25.471 1.00 0.00 N ATOM 177 CA THR A 15 -9.027 -2.723 24.097 1.00 0.00 C ATOM 178 C THR A 15 -8.556 -4.174 24.063 1.00 0.00 C ATOM 179 O THR A 15 -9.182 -5.023 23.429 1.00 0.00 O ATOM 180 CB THR A 15 -8.024 -1.833 23.360 1.00 0.00 C ATOM 181 OG1 THR A 15 -7.090 -1.272 24.267 1.00 0.00 O ATOM 182 CG2 THR A 15 -8.677 -0.690 22.611 1.00 0.00 C ATOM 0 H THR A 15 -8.479 -1.614 25.791 1.00 0.00 H new ATOM 0 HA THR A 15 -9.994 -2.661 23.597 1.00 0.00 H new ATOM 0 HB THR A 15 -7.532 -2.487 22.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.456 -0.708 23.777 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.911 -0.098 22.111 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.369 -1.089 21.869 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.222 -0.059 23.313 1.00 0.00 H new ATOM 190 N SER A 16 -7.452 -4.449 24.747 1.00 0.00 N ATOM 191 CA SER A 16 -6.898 -5.797 24.795 1.00 0.00 C ATOM 192 C SER A 16 -7.777 -6.718 25.635 1.00 0.00 C ATOM 193 O SER A 16 -8.808 -6.298 26.162 1.00 0.00 O ATOM 194 CB SER A 16 -5.478 -5.769 25.365 1.00 0.00 C ATOM 195 OG SER A 16 -4.644 -6.702 24.702 1.00 0.00 O ATOM 0 H SER A 16 -6.922 -3.756 25.276 1.00 0.00 H new ATOM 0 HA SER A 16 -6.866 -6.185 23.777 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.061 -4.767 25.262 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.506 -5.995 26.431 1.00 0.00 H new ATOM 0 HG SER A 16 -3.742 -6.663 25.083 1.00 0.00 H new ATOM 201 N SER A 17 -7.363 -7.975 25.755 1.00 0.00 N ATOM 202 CA SER A 17 -8.114 -8.956 26.531 1.00 0.00 C ATOM 203 C SER A 17 -7.179 -9.998 27.138 1.00 0.00 C ATOM 204 O SER A 17 -7.075 -10.115 28.359 1.00 0.00 O ATOM 205 CB SER A 17 -9.158 -9.643 25.649 1.00 0.00 C ATOM 206 OG SER A 17 -10.142 -8.722 25.211 1.00 0.00 O ATOM 0 H SER A 17 -6.512 -8.339 25.325 1.00 0.00 H new ATOM 0 HA SER A 17 -8.621 -8.432 27.341 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.669 -10.095 24.786 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.634 -10.451 26.205 1.00 0.00 H new ATOM 0 HG SER A 17 -10.796 -9.186 24.648 1.00 0.00 H new ATOM 212 N GLY A 18 -6.502 -10.752 26.277 1.00 0.00 N ATOM 213 CA GLY A 18 -5.585 -11.773 26.748 1.00 0.00 C ATOM 214 C GLY A 18 -4.381 -11.934 25.841 1.00 0.00 C ATOM 215 O GLY A 18 -3.243 -11.754 26.274 1.00 0.00 O ATOM 0 H GLY A 18 -6.572 -10.674 25.262 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.248 -11.518 27.753 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.112 -12.725 26.820 1.00 0.00 H new ATOM 219 N LYS A 19 -4.633 -12.276 24.582 1.00 0.00 N ATOM 220 CA LYS A 19 -3.560 -12.462 23.612 1.00 0.00 C ATOM 221 C LYS A 19 -4.082 -12.320 22.188 1.00 0.00 C ATOM 222 O LYS A 19 -5.291 -12.302 21.957 1.00 0.00 O ATOM 223 CB LYS A 19 -2.912 -13.837 23.795 1.00 0.00 C ATOM 224 CG LYS A 19 -1.679 -13.814 24.685 1.00 0.00 C ATOM 225 CD LYS A 19 -1.026 -15.186 24.767 1.00 0.00 C ATOM 226 CE LYS A 19 0.038 -15.360 23.696 1.00 0.00 C ATOM 227 NZ LYS A 19 1.344 -14.780 24.113 1.00 0.00 N ATOM 0 H LYS A 19 -5.570 -12.430 24.210 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.812 -11.688 23.784 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.645 -14.521 24.222 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.637 -14.233 22.817 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.962 -13.091 24.297 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.957 -13.482 25.685 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.578 -15.319 25.752 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.786 -15.959 24.656 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.164 -16.421 23.479 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.293 -14.883 22.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.043 -14.919 23.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.229 -13.763 24.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.673 -15.253 24.979 1.00 0.00 H new ATOM 241 N GLN A 20 -3.162 -12.219 21.234 1.00 0.00 N ATOM 242 CA GLN A 20 -3.529 -12.079 19.828 1.00 0.00 C ATOM 243 C GLN A 20 -2.341 -12.399 18.924 1.00 0.00 C ATOM 244 O GLN A 20 -1.187 -12.253 19.324 1.00 0.00 O ATOM 245 CB GLN A 20 -4.033 -10.661 19.550 1.00 0.00 C ATOM 246 CG GLN A 20 -5.549 -10.553 19.509 1.00 0.00 C ATOM 247 CD GLN A 20 -6.024 -9.199 19.020 1.00 0.00 C ATOM 248 OE1 GLN A 20 -5.274 -8.222 19.036 1.00 0.00 O ATOM 249 NE2 GLN A 20 -7.276 -9.134 18.581 1.00 0.00 N ATOM 0 H GLN A 20 -2.157 -12.231 21.408 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.328 -12.788 19.612 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.650 -9.990 20.319 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.627 -10.320 18.598 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.947 -11.331 18.857 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.950 -10.736 20.506 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.862 -9.969 18.586 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.651 -8.249 18.239 1.00 0.00 H new ATOM 258 N LYS A 21 -2.634 -12.835 17.704 1.00 0.00 N ATOM 259 CA LYS A 21 -1.592 -13.176 16.744 1.00 0.00 C ATOM 260 C LYS A 21 -2.065 -12.932 15.314 1.00 0.00 C ATOM 261 O LYS A 21 -1.462 -12.156 14.573 1.00 0.00 O ATOM 262 CB LYS A 21 -1.170 -14.637 16.915 1.00 0.00 C ATOM 263 CG LYS A 21 0.337 -14.840 16.893 1.00 0.00 C ATOM 264 CD LYS A 21 0.698 -16.312 16.756 1.00 0.00 C ATOM 265 CE LYS A 21 1.824 -16.519 15.757 1.00 0.00 C ATOM 266 NZ LYS A 21 1.337 -16.455 14.351 1.00 0.00 N ATOM 0 H LYS A 21 -3.585 -12.961 17.357 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.733 -12.533 16.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.565 -15.013 17.859 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.620 -15.232 16.121 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.769 -14.279 16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.773 -14.441 17.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.995 -16.707 17.728 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.180 -16.875 16.438 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.590 -15.759 15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.294 -17.486 15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.135 -16.601 13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.624 -17.196 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.911 -15.523 14.173 1.00 0.00 H new ATOM 280 N ARG A 22 -3.149 -13.600 14.934 1.00 0.00 N ATOM 281 CA ARG A 22 -3.705 -13.457 13.593 1.00 0.00 C ATOM 282 C ARG A 22 -4.170 -12.025 13.346 1.00 0.00 C ATOM 283 O ARG A 22 -5.099 -11.544 13.994 1.00 0.00 O ATOM 284 CB ARG A 22 -4.874 -14.424 13.398 1.00 0.00 C ATOM 285 CG ARG A 22 -4.984 -14.968 11.982 1.00 0.00 C ATOM 286 CD ARG A 22 -6.435 -15.152 11.568 1.00 0.00 C ATOM 287 NE ARG A 22 -6.624 -16.349 10.752 1.00 0.00 N ATOM 288 CZ ARG A 22 -6.482 -17.590 11.211 1.00 0.00 C ATOM 289 NH1 ARG A 22 -6.150 -17.802 12.479 1.00 0.00 N ATOM 290 NH2 ARG A 22 -6.673 -18.623 10.402 1.00 0.00 N ATOM 0 H ARG A 22 -3.660 -14.246 15.536 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.920 -13.695 12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.764 -15.258 14.091 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.803 -13.915 13.656 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.491 -14.286 11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.462 -15.922 11.916 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.060 -15.218 12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.766 -14.277 11.010 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.880 -16.226 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.002 -17.012 13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.043 -18.755 12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.929 -18.467 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.564 -19.574 10.755 1.00 0.00 H new ATOM 304 N TYR A 23 -3.520 -11.350 12.405 1.00 0.00 N ATOM 305 CA TYR A 23 -3.868 -9.973 12.073 1.00 0.00 C ATOM 306 C TYR A 23 -3.013 -9.455 10.920 1.00 0.00 C ATOM 307 O TYR A 23 -1.890 -8.995 11.127 1.00 0.00 O ATOM 308 CB TYR A 23 -3.698 -9.072 13.298 1.00 0.00 C ATOM 309 CG TYR A 23 -4.783 -8.028 13.436 1.00 0.00 C ATOM 310 CD1 TYR A 23 -6.121 -8.361 13.255 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.472 -6.711 13.748 1.00 0.00 C ATOM 312 CE1 TYR A 23 -7.115 -7.411 13.381 1.00 0.00 C ATOM 313 CE2 TYR A 23 -5.461 -5.755 13.875 1.00 0.00 C ATOM 314 CZ TYR A 23 -6.781 -6.110 13.690 1.00 0.00 C ATOM 315 OH TYR A 23 -7.769 -5.160 13.817 1.00 0.00 O ATOM 0 H TYR A 23 -2.749 -11.734 11.858 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.912 -9.955 11.760 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.685 -9.691 14.195 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.731 -8.573 13.241 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.387 -9.379 13.012 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.440 -6.429 13.894 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.150 -7.686 13.238 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.202 -4.735 14.118 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.365 -4.295 14.038 1.00 0.00 H new ATOM 325 N LYS A 24 -3.553 -9.534 9.708 1.00 0.00 N ATOM 326 CA LYS A 24 -2.841 -9.073 8.522 1.00 0.00 C ATOM 327 C LYS A 24 -3.816 -8.744 7.395 1.00 0.00 C ATOM 328 O LYS A 24 -3.567 -9.056 6.231 1.00 0.00 O ATOM 329 CB LYS A 24 -1.838 -10.133 8.058 1.00 0.00 C ATOM 330 CG LYS A 24 -0.428 -9.905 8.576 1.00 0.00 C ATOM 331 CD LYS A 24 0.215 -11.204 9.037 1.00 0.00 C ATOM 332 CE LYS A 24 -0.231 -11.579 10.441 1.00 0.00 C ATOM 333 NZ LYS A 24 0.609 -10.930 11.484 1.00 0.00 N ATOM 0 H LYS A 24 -4.481 -9.913 9.522 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.300 -8.164 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.182 -11.114 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.817 -10.149 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.180 -9.455 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.454 -9.197 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.045 -12.005 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.300 -11.102 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.272 -11.288 10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.184 -12.662 10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.076 -10.877 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.474 -11.489 11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.865 -9.970 11.176 1.00 0.00 H new ATOM 347 N PHE A 25 -4.926 -8.109 7.753 1.00 0.00 N ATOM 348 CA PHE A 25 -5.939 -7.732 6.774 1.00 0.00 C ATOM 349 C PHE A 25 -5.343 -6.844 5.693 1.00 0.00 C ATOM 350 O PHE A 25 -4.374 -6.124 5.936 1.00 0.00 O ATOM 351 CB PHE A 25 -7.103 -7.016 7.461 1.00 0.00 C ATOM 352 CG PHE A 25 -8.427 -7.695 7.259 1.00 0.00 C ATOM 353 CD1 PHE A 25 -8.665 -8.953 7.792 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.435 -7.077 6.536 1.00 0.00 C ATOM 355 CE1 PHE A 25 -9.881 -9.580 7.607 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.655 -7.700 6.350 1.00 0.00 C ATOM 357 CZ PHE A 25 -10.878 -8.953 6.886 1.00 0.00 C ATOM 0 H PHE A 25 -5.147 -7.845 8.713 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.312 -8.642 6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.898 -6.948 8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.166 -5.996 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.890 -9.448 8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.266 -6.098 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.052 -10.561 8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.433 -7.207 5.786 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.830 -9.442 6.742 1.00 0.00 H new ATOM 367 N SER A 26 -5.932 -6.884 4.501 1.00 0.00 N ATOM 368 CA SER A 26 -5.463 -6.063 3.391 1.00 0.00 C ATOM 369 C SER A 26 -5.846 -4.609 3.640 1.00 0.00 C ATOM 370 O SER A 26 -6.475 -3.962 2.803 1.00 0.00 O ATOM 371 CB SER A 26 -6.062 -6.551 2.071 1.00 0.00 C ATOM 372 OG SER A 26 -7.440 -6.851 2.214 1.00 0.00 O ATOM 0 H SER A 26 -6.733 -7.475 4.280 1.00 0.00 H new ATOM 0 HA SER A 26 -4.378 -6.144 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.931 -5.787 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.527 -7.438 1.732 1.00 0.00 H new ATOM 0 HG SER A 26 -7.799 -7.159 1.356 1.00 0.00 H new ATOM 378 N ALA A 27 -5.467 -4.119 4.816 1.00 0.00 N ATOM 379 CA ALA A 27 -5.763 -2.761 5.237 1.00 0.00 C ATOM 380 C ALA A 27 -5.531 -2.616 6.737 1.00 0.00 C ATOM 381 O ALA A 27 -5.258 -1.520 7.227 1.00 0.00 O ATOM 382 CB ALA A 27 -7.196 -2.391 4.891 1.00 0.00 C ATOM 0 H ALA A 27 -4.943 -4.659 5.505 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.095 -2.082 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.397 -1.370 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.341 -2.465 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.880 -3.073 5.396 1.00 0.00 H new ATOM 388 N SER A 28 -5.634 -3.732 7.469 1.00 0.00 N ATOM 389 CA SER A 28 -5.429 -3.714 8.916 1.00 0.00 C ATOM 390 C SER A 28 -4.113 -3.027 9.267 1.00 0.00 C ATOM 391 O SER A 28 -4.006 -2.355 10.293 1.00 0.00 O ATOM 392 CB SER A 28 -5.440 -5.140 9.474 1.00 0.00 C ATOM 393 OG SER A 28 -6.679 -5.435 10.093 1.00 0.00 O ATOM 0 H SER A 28 -5.856 -4.650 7.084 1.00 0.00 H new ATOM 0 HA SER A 28 -6.246 -3.151 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.254 -5.851 8.669 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.632 -5.258 10.196 1.00 0.00 H new ATOM 0 HG SER A 28 -6.535 -5.607 11.047 1.00 0.00 H new ATOM 399 N GLU A 29 -3.117 -3.197 8.405 1.00 0.00 N ATOM 400 CA GLU A 29 -1.807 -2.589 8.620 1.00 0.00 C ATOM 401 C GLU A 29 -1.924 -1.071 8.719 1.00 0.00 C ATOM 402 O GLU A 29 -1.361 -0.454 9.624 1.00 0.00 O ATOM 403 CB GLU A 29 -0.851 -2.966 7.486 1.00 0.00 C ATOM 404 CG GLU A 29 -1.423 -2.724 6.099 1.00 0.00 C ATOM 405 CD GLU A 29 -0.907 -1.444 5.470 1.00 0.00 C ATOM 406 OE1 GLU A 29 0.321 -1.216 5.509 1.00 0.00 O ATOM 407 OE2 GLU A 29 -1.729 -0.670 4.939 1.00 0.00 O ATOM 0 H GLU A 29 -3.190 -3.750 7.551 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.408 -2.969 9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.070 -2.394 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.586 -4.019 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.173 -3.567 5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.510 -2.681 6.161 1.00 0.00 H new ATOM 414 N ASP A 30 -2.662 -0.476 7.786 1.00 0.00 N ATOM 415 CA ASP A 30 -2.855 0.972 7.767 1.00 0.00 C ATOM 416 C ASP A 30 -3.439 1.457 9.088 1.00 0.00 C ATOM 417 O ASP A 30 -2.977 2.444 9.659 1.00 0.00 O ATOM 418 CB ASP A 30 -3.774 1.370 6.609 1.00 0.00 C ATOM 419 CG ASP A 30 -3.053 2.184 5.552 1.00 0.00 C ATOM 420 OD1 ASP A 30 -1.915 1.817 5.193 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.626 3.191 5.085 1.00 0.00 O ATOM 0 H ASP A 30 -3.137 -0.974 7.033 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.882 1.444 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.188 0.471 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.614 1.946 6.997 1.00 0.00 H new ATOM 426 N GLU A 31 -4.454 0.751 9.569 1.00 0.00 N ATOM 427 CA GLU A 31 -5.099 1.101 10.826 1.00 0.00 C ATOM 428 C GLU A 31 -4.103 1.026 11.978 1.00 0.00 C ATOM 429 O GLU A 31 -4.223 1.751 12.965 1.00 0.00 O ATOM 430 CB GLU A 31 -6.284 0.172 11.097 1.00 0.00 C ATOM 431 CG GLU A 31 -7.064 0.528 12.352 1.00 0.00 C ATOM 432 CD GLU A 31 -7.078 -0.596 13.370 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.292 -1.759 12.967 1.00 0.00 O ATOM 434 OE2 GLU A 31 -6.877 -0.313 14.570 1.00 0.00 O ATOM 0 H GLU A 31 -4.848 -0.068 9.106 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.466 2.124 10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.958 0.198 10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.920 -0.852 11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.628 1.418 12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.089 0.779 12.079 1.00 0.00 H new ATOM 441 N ALA A 32 -3.117 0.149 11.843 1.00 0.00 N ATOM 442 CA ALA A 32 -2.101 -0.009 12.870 1.00 0.00 C ATOM 443 C ALA A 32 -1.123 1.158 12.841 1.00 0.00 C ATOM 444 O ALA A 32 -0.569 1.540 13.872 1.00 0.00 O ATOM 445 CB ALA A 32 -1.364 -1.329 12.694 1.00 0.00 C ATOM 0 H ALA A 32 -3.001 -0.461 11.034 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.595 -0.018 13.842 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.607 -1.430 13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.073 -2.154 12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.884 -1.350 11.716 1.00 0.00 H new ATOM 451 N ILE A 33 -0.921 1.731 11.656 1.00 0.00 N ATOM 452 CA ILE A 33 -0.014 2.864 11.516 1.00 0.00 C ATOM 453 C ILE A 33 -0.625 4.119 12.123 1.00 0.00 C ATOM 454 O ILE A 33 0.032 4.839 12.873 1.00 0.00 O ATOM 455 CB ILE A 33 0.360 3.155 10.048 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.395 1.867 9.220 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.703 3.867 9.993 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.960 2.051 7.828 1.00 0.00 C ATOM 0 H ILE A 33 -1.368 1.432 10.789 1.00 0.00 H new ATOM 0 HA ILE A 33 0.896 2.589 12.049 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.404 3.802 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.991 1.123 9.748 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.617 1.469 9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.964 4.071 8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.640 4.806 10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.469 3.235 10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.952 1.096 7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.352 2.771 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.984 2.419 7.897 1.00 0.00 H new ATOM 470 N ILE A 34 -1.889 4.369 11.801 1.00 0.00 N ATOM 471 CA ILE A 34 -2.583 5.536 12.327 1.00 0.00 C ATOM 472 C ILE A 34 -2.695 5.444 13.842 1.00 0.00 C ATOM 473 O ILE A 34 -2.519 6.436 14.552 1.00 0.00 O ATOM 474 CB ILE A 34 -3.989 5.699 11.717 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.817 4.430 11.919 1.00 0.00 C ATOM 476 CG2 ILE A 34 -3.889 6.040 10.237 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.584 4.409 13.224 1.00 0.00 C ATOM 0 H ILE A 34 -2.450 3.783 11.183 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.994 6.411 12.051 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.492 6.519 12.229 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.520 4.329 11.092 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.155 3.565 11.882 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.890 6.152 9.821 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.339 6.973 10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.366 5.240 9.714 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.148 3.480 13.299 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.885 4.478 14.058 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.271 5.254 13.256 1.00 0.00 H new ATOM 489 N LYS A 35 -2.967 4.241 14.336 1.00 0.00 N ATOM 490 CA LYS A 35 -3.078 4.018 15.770 1.00 0.00 C ATOM 491 C LYS A 35 -1.721 4.213 16.431 1.00 0.00 C ATOM 492 O LYS A 35 -1.628 4.688 17.563 1.00 0.00 O ATOM 493 CB LYS A 35 -3.608 2.612 16.056 1.00 0.00 C ATOM 494 CG LYS A 35 -4.109 2.428 17.480 1.00 0.00 C ATOM 495 CD LYS A 35 -3.302 1.377 18.228 1.00 0.00 C ATOM 496 CE LYS A 35 -3.029 1.796 19.662 1.00 0.00 C ATOM 497 NZ LYS A 35 -1.583 1.685 20.007 1.00 0.00 N ATOM 0 H LYS A 35 -3.114 3.409 13.765 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.782 4.741 16.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.420 2.391 15.363 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.817 1.888 15.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.052 3.378 18.012 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.159 2.136 17.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.842 0.430 18.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.357 1.208 17.712 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.360 2.824 19.809 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.613 1.173 20.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.438 1.980 20.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.273 0.699 19.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.028 2.299 19.377 1.00 0.00 H new ATOM 511 N GLY A 36 -0.666 3.852 15.704 1.00 0.00 N ATOM 512 CA GLY A 36 0.678 4.005 16.221 1.00 0.00 C ATOM 513 C GLY A 36 1.117 5.454 16.232 1.00 0.00 C ATOM 514 O GLY A 36 1.733 5.919 17.190 1.00 0.00 O ATOM 0 H GLY A 36 -0.721 3.456 14.766 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.725 3.604 17.233 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.369 3.421 15.614 1.00 0.00 H new ATOM 518 N LEU A 37 0.789 6.170 15.160 1.00 0.00 N ATOM 519 CA LEU A 37 1.141 7.580 15.044 1.00 0.00 C ATOM 520 C LEU A 37 0.347 8.418 16.044 1.00 0.00 C ATOM 521 O LEU A 37 0.755 9.519 16.411 1.00 0.00 O ATOM 522 CB LEU A 37 0.876 8.076 13.619 1.00 0.00 C ATOM 523 CG LEU A 37 2.124 8.235 12.746 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.901 7.610 11.376 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.496 9.703 12.607 1.00 0.00 C ATOM 0 H LEU A 37 0.280 5.796 14.359 1.00 0.00 H new ATOM 0 HA LEU A 37 2.203 7.688 15.267 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.195 7.380 13.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.365 9.037 13.674 1.00 0.00 H new ATOM 0 HG LEU A 37 2.950 7.715 13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.798 7.733 10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.684 6.548 11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.061 8.101 10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.385 9.796 11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.671 10.245 12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.699 10.122 13.593 1.00 0.00 H new ATOM 537 N ALA A 38 -0.795 7.889 16.478 1.00 0.00 N ATOM 538 CA ALA A 38 -1.647 8.590 17.429 1.00 0.00 C ATOM 539 C ALA A 38 -1.144 8.428 18.859 1.00 0.00 C ATOM 540 O ALA A 38 -1.369 9.293 19.706 1.00 0.00 O ATOM 541 CB ALA A 38 -3.075 8.083 17.319 1.00 0.00 C ATOM 0 H ALA A 38 -1.149 6.978 16.185 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.618 9.652 17.184 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.705 8.613 18.034 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.446 8.257 16.309 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.100 7.015 17.535 1.00 0.00 H new ATOM 547 N ARG A 39 -0.478 7.310 19.130 1.00 0.00 N ATOM 548 CA ARG A 39 0.036 7.039 20.467 1.00 0.00 C ATOM 549 C ARG A 39 1.517 7.375 20.582 1.00 0.00 C ATOM 550 O ARG A 39 1.907 8.251 21.355 1.00 0.00 O ATOM 551 CB ARG A 39 -0.193 5.570 20.833 1.00 0.00 C ATOM 552 CG ARG A 39 -1.653 5.150 20.773 1.00 0.00 C ATOM 553 CD ARG A 39 -2.171 4.730 22.140 1.00 0.00 C ATOM 554 NE ARG A 39 -2.570 5.878 22.950 1.00 0.00 N ATOM 555 CZ ARG A 39 -3.340 5.791 24.033 1.00 0.00 C ATOM 556 NH1 ARG A 39 -3.796 4.613 24.439 1.00 0.00 N ATOM 557 NH2 ARG A 39 -3.656 6.886 24.712 1.00 0.00 N ATOM 0 H ARG A 39 -0.282 6.580 18.445 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.507 7.678 21.163 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.386 4.941 20.157 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.187 5.391 21.839 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.255 5.976 20.393 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.766 4.324 20.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.022 4.061 22.015 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.398 4.168 22.664 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.239 6.801 22.669 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.557 3.768 23.921 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.385 4.553 25.269 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.309 7.795 24.405 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.246 6.819 25.542 1.00 0.00 H new ATOM 571 N PHE A 40 2.336 6.671 19.817 1.00 0.00 N ATOM 572 CA PHE A 40 3.781 6.892 19.844 1.00 0.00 C ATOM 573 C PHE A 40 4.243 7.666 18.617 1.00 0.00 C ATOM 574 O PHE A 40 3.979 7.272 17.481 1.00 0.00 O ATOM 575 CB PHE A 40 4.538 5.562 19.941 1.00 0.00 C ATOM 576 CG PHE A 40 3.895 4.428 19.191 1.00 0.00 C ATOM 577 CD1 PHE A 40 2.843 3.721 19.748 1.00 0.00 C ATOM 578 CD2 PHE A 40 4.350 4.069 17.934 1.00 0.00 C ATOM 579 CE1 PHE A 40 2.254 2.676 19.062 1.00 0.00 C ATOM 580 CE2 PHE A 40 3.767 3.023 17.244 1.00 0.00 C ATOM 581 CZ PHE A 40 2.717 2.325 17.810 1.00 0.00 C ATOM 0 H PHE A 40 2.031 5.943 19.171 1.00 0.00 H new ATOM 0 HA PHE A 40 4.004 7.486 20.730 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.550 5.705 19.562 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.627 5.284 20.991 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.479 3.989 20.729 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.170 4.612 17.487 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.432 2.134 19.505 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.131 2.752 16.264 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.260 1.507 17.274 1.00 0.00 H new ATOM 591 N THR A 41 4.933 8.776 18.858 1.00 0.00 N ATOM 592 CA THR A 41 5.435 9.618 17.780 1.00 0.00 C ATOM 593 C THR A 41 6.535 10.548 18.282 1.00 0.00 C ATOM 594 O THR A 41 6.276 11.696 18.640 1.00 0.00 O ATOM 595 CB THR A 41 4.292 10.434 17.180 1.00 0.00 C ATOM 596 OG1 THR A 41 3.377 10.831 18.185 1.00 0.00 O ATOM 597 CG2 THR A 41 3.516 9.680 16.123 1.00 0.00 C ATOM 0 H THR A 41 5.157 9.114 19.794 1.00 0.00 H new ATOM 0 HA THR A 41 5.859 8.973 17.010 1.00 0.00 H new ATOM 0 HB THR A 41 4.765 11.299 16.715 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.653 11.354 17.781 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.718 10.314 15.736 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.186 9.402 15.309 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.084 8.780 16.561 1.00 0.00 H new ATOM 605 N LYS A 42 7.764 10.040 18.306 1.00 0.00 N ATOM 606 CA LYS A 42 8.914 10.819 18.765 1.00 0.00 C ATOM 607 C LYS A 42 8.925 12.214 18.139 1.00 0.00 C ATOM 608 O LYS A 42 9.238 13.199 18.806 1.00 0.00 O ATOM 609 CB LYS A 42 10.217 10.086 18.434 1.00 0.00 C ATOM 610 CG LYS A 42 10.373 9.754 16.959 1.00 0.00 C ATOM 611 CD LYS A 42 11.787 9.300 16.638 1.00 0.00 C ATOM 612 CE LYS A 42 11.810 8.327 15.470 1.00 0.00 C ATOM 613 NZ LYS A 42 13.188 7.842 15.179 1.00 0.00 N ATOM 0 H LYS A 42 7.991 9.090 18.012 1.00 0.00 H new ATOM 0 HA LYS A 42 8.831 10.933 19.846 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.060 10.701 18.750 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.261 9.163 19.012 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.667 8.970 16.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.126 10.630 16.359 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.404 10.167 16.402 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.226 8.826 17.516 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.165 7.477 15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.401 8.813 14.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.161 7.181 14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.798 8.650 14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.569 7.355 16.016 1.00 0.00 H new ATOM 627 N GLY A 43 8.579 12.288 16.857 1.00 0.00 N ATOM 628 CA GLY A 43 8.553 13.568 16.171 1.00 0.00 C ATOM 629 C GLY A 43 9.546 13.640 15.026 1.00 0.00 C ATOM 630 O GLY A 43 9.266 14.245 13.991 1.00 0.00 O ATOM 0 H GLY A 43 8.317 11.487 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.549 13.750 15.787 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.770 14.363 16.885 1.00 0.00 H new ATOM 634 N GLN A 44 10.711 13.022 15.210 1.00 0.00 N ATOM 635 CA GLN A 44 11.747 13.021 14.179 1.00 0.00 C ATOM 636 C GLN A 44 11.184 12.572 12.833 1.00 0.00 C ATOM 637 O GLN A 44 11.698 12.943 11.778 1.00 0.00 O ATOM 638 CB GLN A 44 12.905 12.111 14.592 1.00 0.00 C ATOM 639 CG GLN A 44 14.274 12.667 14.234 1.00 0.00 C ATOM 640 CD GLN A 44 15.105 11.697 13.418 1.00 0.00 C ATOM 641 OE1 GLN A 44 15.062 10.486 13.638 1.00 0.00 O ATOM 642 NE2 GLN A 44 15.871 12.225 12.470 1.00 0.00 N ATOM 0 H GLN A 44 10.961 12.517 16.060 1.00 0.00 H new ATOM 0 HA GLN A 44 12.115 14.041 14.071 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.860 11.945 15.668 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.781 11.139 14.114 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.150 13.593 13.673 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.810 12.918 15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.876 13.234 12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.454 11.621 11.890 1.00 0.00 H new ATOM 651 N GLN A 45 10.125 11.770 12.880 1.00 0.00 N ATOM 652 CA GLN A 45 9.488 11.271 11.667 1.00 0.00 C ATOM 653 C GLN A 45 8.046 10.860 11.947 1.00 0.00 C ATOM 654 O GLN A 45 7.107 11.477 11.445 1.00 0.00 O ATOM 655 CB GLN A 45 10.275 10.082 11.109 1.00 0.00 C ATOM 656 CG GLN A 45 10.786 10.304 9.693 1.00 0.00 C ATOM 657 CD GLN A 45 12.233 9.885 9.523 1.00 0.00 C ATOM 658 OE1 GLN A 45 12.598 8.758 10.123 1.00 0.00 O flip ATOM 659 NE2 GLN A 45 13.015 10.567 8.861 1.00 0.00 N flip ATOM 0 H GLN A 45 9.690 11.452 13.746 1.00 0.00 H new ATOM 0 HA GLN A 45 9.482 12.071 10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.121 9.877 11.764 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.639 9.197 11.123 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.165 9.743 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.684 11.358 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.692 11.426 8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.986 10.273 8.757 1.00 0.00 H new ATOM 668 N ARG A 46 7.887 9.807 12.754 1.00 0.00 N ATOM 669 CA ARG A 46 6.574 9.278 13.130 1.00 0.00 C ATOM 670 C ARG A 46 6.091 8.252 12.113 1.00 0.00 C ATOM 671 O ARG A 46 5.487 7.242 12.473 1.00 0.00 O ATOM 672 CB ARG A 46 5.537 10.400 13.277 1.00 0.00 C ATOM 673 CG ARG A 46 6.038 11.596 14.070 1.00 0.00 C ATOM 674 CD ARG A 46 5.543 12.907 13.477 1.00 0.00 C ATOM 675 NE ARG A 46 4.136 13.149 13.787 1.00 0.00 N ATOM 676 CZ ARG A 46 3.688 13.463 15.000 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.532 13.577 16.017 1.00 0.00 N ATOM 678 NH2 ARG A 46 2.391 13.665 15.195 1.00 0.00 N ATOM 0 H ARG A 46 8.668 9.296 13.166 1.00 0.00 H new ATOM 0 HA ARG A 46 6.686 8.789 14.098 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.234 10.734 12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.648 9.999 13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.703 11.514 15.104 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.128 11.592 14.087 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.146 13.730 13.861 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.679 12.890 12.396 1.00 0.00 H new ATOM 0 HE ARG A 46 3.457 13.073 13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.530 13.424 15.871 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.183 13.818 16.945 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.739 13.579 14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.046 13.906 16.124 1.00 0.00 H new ATOM 692 N PHE A 47 6.361 8.517 10.842 1.00 0.00 N ATOM 693 CA PHE A 47 5.953 7.616 9.772 1.00 0.00 C ATOM 694 C PHE A 47 6.850 6.385 9.720 1.00 0.00 C ATOM 695 O PHE A 47 6.368 5.252 9.697 1.00 0.00 O ATOM 696 CB PHE A 47 5.985 8.343 8.428 1.00 0.00 C ATOM 697 CG PHE A 47 5.190 9.617 8.417 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.836 9.602 8.126 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.798 10.831 8.697 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.102 10.773 8.115 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.069 12.005 8.687 1.00 0.00 C ATOM 702 CZ PHE A 47 3.720 11.977 8.396 1.00 0.00 C ATOM 0 H PHE A 47 6.861 9.348 10.526 1.00 0.00 H new ATOM 0 HA PHE A 47 4.934 7.288 9.977 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.020 8.568 8.170 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.601 7.678 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.348 8.664 7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.853 10.860 8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.047 10.747 7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.555 12.944 8.907 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.149 12.894 8.388 1.00 0.00 H new ATOM 712 N GLN A 48 8.157 6.612 9.706 1.00 0.00 N ATOM 713 CA GLN A 48 9.116 5.517 9.664 1.00 0.00 C ATOM 714 C GLN A 48 9.141 4.764 10.990 1.00 0.00 C ATOM 715 O GLN A 48 9.135 3.533 11.019 1.00 0.00 O ATOM 716 CB GLN A 48 10.515 6.042 9.335 1.00 0.00 C ATOM 717 CG GLN A 48 10.567 6.893 8.077 1.00 0.00 C ATOM 718 CD GLN A 48 11.978 7.064 7.547 1.00 0.00 C ATOM 719 OE1 GLN A 48 12.953 6.839 8.263 1.00 0.00 O ATOM 720 NE2 GLN A 48 12.090 7.467 6.287 1.00 0.00 N ATOM 0 H GLN A 48 8.576 7.542 9.723 1.00 0.00 H new ATOM 0 HA GLN A 48 8.804 4.827 8.880 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.880 6.631 10.177 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.193 5.196 9.220 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.946 6.435 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.141 7.874 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.253 7.641 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.013 7.602 5.875 1.00 0.00 H new ATOM 729 N GLN A 49 9.176 5.514 12.089 1.00 0.00 N ATOM 730 CA GLN A 49 9.209 4.918 13.420 1.00 0.00 C ATOM 731 C GLN A 49 7.985 4.039 13.656 1.00 0.00 C ATOM 732 O GLN A 49 8.110 2.881 14.060 1.00 0.00 O ATOM 733 CB GLN A 49 9.279 6.009 14.489 1.00 0.00 C ATOM 734 CG GLN A 49 9.518 5.471 15.890 1.00 0.00 C ATOM 735 CD GLN A 49 8.632 6.130 16.929 1.00 0.00 C ATOM 736 OE1 GLN A 49 9.065 7.024 17.656 1.00 0.00 O ATOM 737 NE2 GLN A 49 7.381 5.690 17.002 1.00 0.00 N ATOM 0 H GLN A 49 9.182 6.534 12.083 1.00 0.00 H new ATOM 0 HA GLN A 49 10.100 4.294 13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.078 6.705 14.235 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.348 6.576 14.480 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.341 4.396 15.897 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.563 5.624 16.160 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.065 4.947 16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.737 6.095 17.681 1.00 0.00 H new ATOM 746 N ILE A 50 6.802 4.587 13.392 1.00 0.00 N ATOM 747 CA ILE A 50 5.570 3.834 13.571 1.00 0.00 C ATOM 748 C ILE A 50 5.564 2.608 12.663 1.00 0.00 C ATOM 749 O ILE A 50 5.107 1.533 13.051 1.00 0.00 O ATOM 750 CB ILE A 50 4.324 4.712 13.302 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.103 4.155 14.035 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.048 4.835 11.809 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.771 2.723 13.672 1.00 0.00 C ATOM 0 H ILE A 50 6.673 5.542 13.056 1.00 0.00 H new ATOM 0 HA ILE A 50 5.526 3.507 14.610 1.00 0.00 H new ATOM 0 HB ILE A 50 4.529 5.711 13.686 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.277 4.216 15.109 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.241 4.785 13.815 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.167 5.457 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.907 5.291 11.317 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.872 3.845 11.389 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.894 2.400 14.232 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.564 2.657 12.604 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.616 2.080 13.918 1.00 0.00 H new ATOM 765 N TYR A 51 6.097 2.777 11.456 1.00 0.00 N ATOM 766 CA TYR A 51 6.172 1.683 10.495 1.00 0.00 C ATOM 767 C TYR A 51 6.907 0.494 11.099 1.00 0.00 C ATOM 768 O TYR A 51 6.432 -0.641 11.046 1.00 0.00 O ATOM 769 CB TYR A 51 6.876 2.145 9.215 1.00 0.00 C ATOM 770 CG TYR A 51 7.202 1.021 8.254 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.231 0.106 7.868 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.483 0.877 7.735 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.527 -0.921 6.994 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.785 -0.149 6.860 1.00 0.00 C ATOM 775 CZ TYR A 51 7.804 -1.046 6.492 1.00 0.00 C ATOM 776 OH TYR A 51 8.103 -2.067 5.621 1.00 0.00 O ATOM 0 H TYR A 51 6.483 3.660 11.121 1.00 0.00 H new ATOM 0 HA TYR A 51 5.157 1.374 10.244 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.243 2.873 8.707 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.799 2.658 9.485 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.228 0.199 8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.254 1.577 8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.760 -1.624 6.705 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.786 -0.248 6.466 1.00 0.00 H new ATOM 0 HH TYR A 51 9.039 -2.332 5.737 1.00 0.00 H new ATOM 786 N TYR A 52 8.068 0.768 11.677 1.00 0.00 N ATOM 787 CA TYR A 52 8.881 -0.269 12.300 1.00 0.00 C ATOM 788 C TYR A 52 8.205 -0.816 13.554 1.00 0.00 C ATOM 789 O TYR A 52 8.472 -1.944 13.969 1.00 0.00 O ATOM 790 CB TYR A 52 10.264 0.281 12.651 1.00 0.00 C ATOM 791 CG TYR A 52 11.132 0.558 11.444 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.614 -0.482 10.658 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.471 1.859 11.091 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.407 -0.233 9.553 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.263 2.116 9.989 1.00 0.00 C ATOM 796 CZ TYR A 52 12.729 1.068 9.225 1.00 0.00 C ATOM 797 OH TYR A 52 13.519 1.320 8.127 1.00 0.00 O ATOM 0 H TYR A 52 8.470 1.704 11.728 1.00 0.00 H new ATOM 0 HA TYR A 52 8.991 -1.085 11.586 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.145 1.202 13.221 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.775 -0.431 13.299 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.365 -1.501 10.914 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.109 2.683 11.688 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.772 -1.052 8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.516 3.133 9.727 1.00 0.00 H new ATOM 0 HH TYR A 52 13.651 2.287 8.034 1.00 0.00 H new ATOM 807 N ALA A 53 7.338 -0.013 14.161 1.00 0.00 N ATOM 808 CA ALA A 53 6.638 -0.428 15.370 1.00 0.00 C ATOM 809 C ALA A 53 5.611 -1.516 15.077 1.00 0.00 C ATOM 810 O ALA A 53 5.605 -2.565 15.719 1.00 0.00 O ATOM 811 CB ALA A 53 5.969 0.770 16.028 1.00 0.00 C ATOM 0 H ALA A 53 7.104 0.925 13.837 1.00 0.00 H new ATOM 0 HA ALA A 53 7.375 -0.845 16.056 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.449 0.447 16.930 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.725 1.510 16.290 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.253 1.212 15.336 1.00 0.00 H new ATOM 817 N TYR A 54 4.743 -1.255 14.108 1.00 0.00 N ATOM 818 CA TYR A 54 3.706 -2.215 13.733 1.00 0.00 C ATOM 819 C TYR A 54 4.260 -3.339 12.850 1.00 0.00 C ATOM 820 O TYR A 54 3.521 -4.231 12.438 1.00 0.00 O ATOM 821 CB TYR A 54 2.535 -1.499 13.040 1.00 0.00 C ATOM 822 CG TYR A 54 2.692 -1.321 11.543 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.435 -2.368 10.667 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.091 -0.103 11.008 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.570 -2.208 9.301 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.228 0.064 9.643 1.00 0.00 C ATOM 827 CZ TYR A 54 2.966 -0.989 8.796 1.00 0.00 C ATOM 828 OH TYR A 54 3.101 -0.825 7.436 1.00 0.00 O ATOM 0 H TYR A 54 4.734 -0.390 13.567 1.00 0.00 H new ATOM 0 HA TYR A 54 3.338 -2.678 14.649 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.621 -2.061 13.230 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.407 -0.518 13.496 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.124 -3.324 11.061 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.297 0.726 11.669 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.366 -3.033 8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.540 1.017 9.242 1.00 0.00 H new ATOM 0 HH TYR A 54 4.051 -0.741 7.209 1.00 0.00 H new ATOM 838 N ARG A 55 5.560 -3.297 12.563 1.00 0.00 N ATOM 839 CA ARG A 55 6.190 -4.317 11.728 1.00 0.00 C ATOM 840 C ARG A 55 5.914 -5.725 12.260 1.00 0.00 C ATOM 841 O ARG A 55 5.987 -6.701 11.514 1.00 0.00 O ATOM 842 CB ARG A 55 7.700 -4.080 11.653 1.00 0.00 C ATOM 843 CG ARG A 55 8.128 -3.251 10.453 1.00 0.00 C ATOM 844 CD ARG A 55 8.268 -4.111 9.207 1.00 0.00 C ATOM 845 NE ARG A 55 9.375 -3.669 8.362 1.00 0.00 N ATOM 846 CZ ARG A 55 10.657 -3.892 8.642 1.00 0.00 C ATOM 847 NH1 ARG A 55 10.997 -4.551 9.742 1.00 0.00 N ATOM 848 NH2 ARG A 55 11.601 -3.454 7.819 1.00 0.00 N ATOM 0 H ARG A 55 6.195 -2.571 12.895 1.00 0.00 H new ATOM 0 HA ARG A 55 5.760 -4.240 10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.026 -3.579 12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.209 -5.043 11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.396 -2.463 10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.078 -2.761 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.426 -5.149 9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.340 -4.078 8.636 1.00 0.00 H new ATOM 0 HE ARG A 55 9.152 -3.159 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.275 -4.889 10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.981 -4.719 9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.344 -2.947 6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.584 -3.625 8.033 1.00 0.00 H new ATOM 862 N SER A 56 5.602 -5.824 13.548 1.00 0.00 N ATOM 863 CA SER A 56 5.322 -7.116 14.168 1.00 0.00 C ATOM 864 C SER A 56 4.007 -7.702 13.660 1.00 0.00 C ATOM 865 O SER A 56 3.872 -8.918 13.525 1.00 0.00 O ATOM 866 CB SER A 56 5.274 -6.973 15.691 1.00 0.00 C ATOM 867 OG SER A 56 5.347 -8.238 16.325 1.00 0.00 O ATOM 0 H SER A 56 5.537 -5.028 14.182 1.00 0.00 H new ATOM 0 HA SER A 56 6.127 -7.799 13.895 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.100 -6.346 16.027 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.353 -6.469 15.983 1.00 0.00 H new ATOM 0 HG SER A 56 5.316 -8.119 17.297 1.00 0.00 H new ATOM 873 N VAL A 57 3.038 -6.834 13.385 1.00 0.00 N ATOM 874 CA VAL A 57 1.735 -7.275 12.898 1.00 0.00 C ATOM 875 C VAL A 57 1.744 -7.480 11.385 1.00 0.00 C ATOM 876 O VAL A 57 0.942 -8.246 10.850 1.00 0.00 O ATOM 877 CB VAL A 57 0.624 -6.266 13.266 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.892 -4.911 12.630 1.00 0.00 C ATOM 879 CG2 VAL A 57 -0.741 -6.795 12.850 1.00 0.00 C ATOM 0 H VAL A 57 3.130 -5.824 13.491 1.00 0.00 H new ATOM 0 HA VAL A 57 1.526 -8.228 13.384 1.00 0.00 H new ATOM 0 HB VAL A 57 0.626 -6.139 14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.097 -4.217 12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.848 -4.525 12.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.924 -5.018 11.546 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.509 -6.070 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.755 -6.957 11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.937 -7.737 13.361 1.00 0.00 H new ATOM 889 N TRP A 58 2.649 -6.790 10.698 1.00 0.00 N ATOM 890 CA TRP A 58 2.750 -6.898 9.247 1.00 0.00 C ATOM 891 C TRP A 58 3.997 -7.678 8.839 1.00 0.00 C ATOM 892 O TRP A 58 4.893 -7.910 9.651 1.00 0.00 O ATOM 893 CB TRP A 58 2.771 -5.504 8.617 1.00 0.00 C ATOM 894 CG TRP A 58 2.526 -5.512 7.139 1.00 0.00 C ATOM 895 CD1 TRP A 58 3.266 -4.873 6.185 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.470 -6.184 6.443 1.00 0.00 C ATOM 897 NE1 TRP A 58 2.736 -5.110 4.941 1.00 0.00 N ATOM 898 CE2 TRP A 58 1.633 -5.913 5.072 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.400 -6.993 6.845 1.00 0.00 C ATOM 900 CZ2 TRP A 58 0.771 -6.419 4.103 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -0.455 -7.494 5.881 1.00 0.00 C ATOM 902 CH2 TRP A 58 -0.265 -7.206 4.525 1.00 0.00 C ATOM 0 H TRP A 58 3.322 -6.151 11.122 1.00 0.00 H new ATOM 0 HA TRP A 58 1.877 -7.442 8.885 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.015 -4.885 9.099 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.737 -5.039 8.815 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.140 -4.270 6.381 1.00 0.00 H new ATOM 0 HE1 TRP A 58 3.104 -4.747 4.061 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.245 -7.221 7.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.915 -6.198 3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -1.284 -8.118 6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.950 -7.613 3.797 1.00 0.00 H new ATOM 913 N HIS A 59 4.044 -8.087 7.574 1.00 0.00 N ATOM 914 CA HIS A 59 5.177 -8.847 7.054 1.00 0.00 C ATOM 915 C HIS A 59 6.458 -8.013 7.078 1.00 0.00 C ATOM 916 O HIS A 59 6.567 -7.014 6.368 1.00 0.00 O ATOM 917 CB HIS A 59 4.889 -9.312 5.626 1.00 0.00 C ATOM 918 CG HIS A 59 5.678 -10.517 5.219 1.00 0.00 C ATOM 919 ND1 HIS A 59 6.931 -10.438 4.645 1.00 0.00 N ATOM 920 CD2 HIS A 59 5.389 -11.837 5.305 1.00 0.00 C ATOM 921 CE1 HIS A 59 7.376 -11.657 4.396 1.00 0.00 C ATOM 922 NE2 HIS A 59 6.460 -12.523 4.787 1.00 0.00 N ATOM 0 H HIS A 59 3.310 -7.905 6.890 1.00 0.00 H new ATOM 0 HA HIS A 59 5.321 -9.717 7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.826 -9.535 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.105 -8.496 4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.485 -12.270 5.706 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.328 -11.903 3.949 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.535 -13.538 4.716 1.00 0.00 H new ATOM 931 N PRO A 60 7.452 -8.415 7.894 1.00 0.00 N ATOM 932 CA PRO A 60 8.726 -7.695 7.998 1.00 0.00 C ATOM 933 C PRO A 60 9.457 -7.617 6.661 1.00 0.00 C ATOM 934 O PRO A 60 9.739 -8.639 6.035 1.00 0.00 O ATOM 935 CB PRO A 60 9.538 -8.526 8.999 1.00 0.00 C ATOM 936 CG PRO A 60 8.527 -9.323 9.748 1.00 0.00 C ATOM 937 CD PRO A 60 7.415 -9.593 8.776 1.00 0.00 C ATOM 0 HA PRO A 60 8.578 -6.661 8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.251 -9.173 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.112 -7.886 9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.958 -10.254 10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.162 -8.775 10.616 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.579 -10.517 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.453 -9.690 9.280 1.00 0.00 H new ATOM 945 N ALA A 61 9.764 -6.396 6.229 1.00 0.00 N ATOM 946 CA ALA A 61 10.463 -6.183 4.967 1.00 0.00 C ATOM 947 C ALA A 61 10.687 -4.696 4.708 1.00 0.00 C ATOM 948 O ALA A 61 9.793 -3.877 4.919 1.00 0.00 O ATOM 949 CB ALA A 61 9.686 -6.808 3.817 1.00 0.00 C ATOM 0 H ALA A 61 9.539 -5.540 6.736 1.00 0.00 H new ATOM 0 HA ALA A 61 11.438 -6.666 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.221 -6.640 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.582 -7.879 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.698 -6.353 3.756 1.00 0.00 H new ATOM 955 N ARG A 62 11.889 -4.355 4.248 1.00 0.00 N ATOM 956 CA ARG A 62 12.228 -2.967 3.959 1.00 0.00 C ATOM 957 C ARG A 62 11.299 -2.391 2.895 1.00 0.00 C ATOM 958 O ARG A 62 11.432 -2.696 1.710 1.00 0.00 O ATOM 959 CB ARG A 62 13.684 -2.862 3.497 1.00 0.00 C ATOM 960 CG ARG A 62 14.565 -2.058 4.440 1.00 0.00 C ATOM 961 CD ARG A 62 14.548 -0.577 4.091 1.00 0.00 C ATOM 962 NE ARG A 62 15.119 -0.320 2.770 1.00 0.00 N ATOM 963 CZ ARG A 62 15.110 0.873 2.180 1.00 0.00 C ATOM 964 NH1 ARG A 62 14.561 1.919 2.787 1.00 0.00 N ATOM 965 NH2 ARG A 62 15.650 1.021 0.977 1.00 0.00 N ATOM 0 H ARG A 62 12.641 -5.020 4.068 1.00 0.00 H new ATOM 0 HA ARG A 62 12.103 -2.389 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.097 -3.865 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.711 -2.403 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.222 -2.195 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.588 -2.433 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.522 -0.209 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.108 -0.021 4.843 1.00 0.00 H new ATOM 0 HE ARG A 62 15.549 -1.100 2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.143 1.811 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.558 2.830 2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.071 0.221 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.644 1.935 0.524 1.00 0.00 H new ATOM 979 N THR A 63 10.356 -1.561 3.326 1.00 0.00 N ATOM 980 CA THR A 63 9.403 -0.946 2.409 1.00 0.00 C ATOM 981 C THR A 63 8.841 0.348 2.989 1.00 0.00 C ATOM 982 O THR A 63 7.646 0.621 2.877 1.00 0.00 O ATOM 983 CB THR A 63 8.263 -1.920 2.101 1.00 0.00 C ATOM 984 OG1 THR A 63 8.699 -3.261 2.232 1.00 0.00 O ATOM 985 CG2 THR A 63 7.697 -1.755 0.707 1.00 0.00 C ATOM 0 H THR A 63 10.231 -1.298 4.304 1.00 0.00 H new ATOM 0 HA THR A 63 9.929 -0.706 1.485 1.00 0.00 H new ATOM 0 HB THR A 63 7.481 -1.688 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.956 -3.868 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.893 -2.475 0.553 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.306 -0.744 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.484 -1.927 -0.028 1.00 0.00 H new ATOM 993 N VAL A 64 9.708 1.144 3.606 1.00 0.00 N ATOM 994 CA VAL A 64 9.289 2.408 4.196 1.00 0.00 C ATOM 995 C VAL A 64 8.702 3.330 3.131 1.00 0.00 C ATOM 996 O VAL A 64 7.761 4.082 3.392 1.00 0.00 O ATOM 997 CB VAL A 64 10.458 3.119 4.910 1.00 0.00 C ATOM 998 CG1 VAL A 64 11.502 3.590 3.907 1.00 0.00 C ATOM 999 CG2 VAL A 64 9.941 4.281 5.746 1.00 0.00 C ATOM 0 H VAL A 64 10.701 0.936 3.710 1.00 0.00 H new ATOM 0 HA VAL A 64 8.524 2.180 4.938 1.00 0.00 H new ATOM 0 HB VAL A 64 10.938 2.404 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.315 4.088 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.895 2.732 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.044 4.288 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.778 4.772 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.432 4.996 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.242 3.908 6.495 1.00 0.00 H new ATOM 1009 N SER A 65 9.255 3.255 1.923 1.00 0.00 N ATOM 1010 CA SER A 65 8.772 4.071 0.814 1.00 0.00 C ATOM 1011 C SER A 65 7.295 3.796 0.577 1.00 0.00 C ATOM 1012 O SER A 65 6.501 4.714 0.370 1.00 0.00 O ATOM 1013 CB SER A 65 9.574 3.779 -0.455 1.00 0.00 C ATOM 1014 OG SER A 65 10.953 4.038 -0.259 1.00 0.00 O ATOM 0 H SER A 65 10.034 2.640 1.688 1.00 0.00 H new ATOM 0 HA SER A 65 8.903 5.123 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.434 2.738 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.199 4.392 -1.275 1.00 0.00 H new ATOM 0 HG SER A 65 11.443 3.842 -1.085 1.00 0.00 H new ATOM 1020 N GLN A 66 6.933 2.519 0.629 1.00 0.00 N ATOM 1021 CA GLN A 66 5.550 2.109 0.444 1.00 0.00 C ATOM 1022 C GLN A 66 4.673 2.728 1.525 1.00 0.00 C ATOM 1023 O GLN A 66 3.505 3.038 1.295 1.00 0.00 O ATOM 1024 CB GLN A 66 5.433 0.583 0.484 1.00 0.00 C ATOM 1025 CG GLN A 66 4.119 0.059 -0.074 1.00 0.00 C ATOM 1026 CD GLN A 66 4.176 -1.418 -0.412 1.00 0.00 C ATOM 1027 OE1 GLN A 66 3.639 -2.254 0.317 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.830 -1.747 -1.519 1.00 0.00 N ATOM 0 H GLN A 66 7.581 1.750 0.798 1.00 0.00 H new ATOM 0 HA GLN A 66 5.212 2.458 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.257 0.149 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.541 0.245 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.326 0.231 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.858 0.623 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.259 -1.021 -2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.903 -2.726 -1.796 1.00 0.00 H new ATOM 1037 N LEU A 67 5.254 2.910 2.708 1.00 0.00 N ATOM 1038 CA LEU A 67 4.531 3.498 3.828 1.00 0.00 C ATOM 1039 C LEU A 67 4.116 4.918 3.492 1.00 0.00 C ATOM 1040 O LEU A 67 2.948 5.282 3.620 1.00 0.00 O ATOM 1041 CB LEU A 67 5.420 3.494 5.079 1.00 0.00 C ATOM 1042 CG LEU A 67 4.718 3.785 6.412 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.765 4.966 6.292 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.985 2.552 6.906 1.00 0.00 C ATOM 0 H LEU A 67 6.221 2.659 2.914 1.00 0.00 H new ATOM 0 HA LEU A 67 3.636 2.907 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.903 2.520 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.210 4.232 4.940 1.00 0.00 H new ATOM 0 HG LEU A 67 5.483 4.051 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.285 5.145 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.322 5.854 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.005 4.746 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.493 2.776 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.238 2.254 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.697 1.739 7.051 1.00 0.00 H new ATOM 1056 N TYR A 68 5.074 5.711 3.048 1.00 0.00 N ATOM 1057 CA TYR A 68 4.800 7.089 2.680 1.00 0.00 C ATOM 1058 C TYR A 68 3.806 7.134 1.528 1.00 0.00 C ATOM 1059 O TYR A 68 3.056 8.098 1.376 1.00 0.00 O ATOM 1060 CB TYR A 68 6.097 7.805 2.300 1.00 0.00 C ATOM 1061 CG TYR A 68 6.958 8.178 3.490 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.828 7.521 4.712 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.906 9.190 3.389 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.617 7.865 5.793 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.697 9.538 4.466 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.548 8.873 5.665 1.00 0.00 C ATOM 1067 OH TYR A 68 9.337 9.218 6.739 1.00 0.00 O ATOM 0 H TYR A 68 6.047 5.426 2.933 1.00 0.00 H new ATOM 0 HA TYR A 68 4.363 7.603 3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.673 7.164 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.853 8.709 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.099 6.731 4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.026 9.713 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.505 7.346 6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.428 10.327 4.370 1.00 0.00 H new ATOM 0 HH TYR A 68 9.941 9.945 6.481 1.00 0.00 H new ATOM 1077 N ASP A 69 3.814 6.080 0.719 1.00 0.00 N ATOM 1078 CA ASP A 69 2.922 5.988 -0.425 1.00 0.00 C ATOM 1079 C ASP A 69 1.467 5.860 0.001 1.00 0.00 C ATOM 1080 O ASP A 69 0.606 6.587 -0.495 1.00 0.00 O ATOM 1081 CB ASP A 69 3.310 4.793 -1.297 1.00 0.00 C ATOM 1082 CG ASP A 69 4.472 5.103 -2.220 1.00 0.00 C ATOM 1083 OD1 ASP A 69 4.264 5.831 -3.213 1.00 0.00 O ATOM 1084 OD2 ASP A 69 5.589 4.615 -1.952 1.00 0.00 O ATOM 0 H ASP A 69 4.431 5.277 0.837 1.00 0.00 H new ATOM 0 HA ASP A 69 3.024 6.911 -0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.573 3.950 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.449 4.486 -1.891 1.00 0.00 H new ATOM 1089 N HIS A 70 1.190 4.939 0.914 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.177 4.750 1.376 1.00 0.00 C ATOM 1091 C HIS A 70 -0.550 5.793 2.422 1.00 0.00 C ATOM 1092 O HIS A 70 -1.729 6.048 2.661 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.399 3.331 1.904 1.00 0.00 C ATOM 1094 CG HIS A 70 0.443 2.972 3.078 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.197 1.823 3.125 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.639 3.601 4.257 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.821 1.758 4.282 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.500 2.826 4.988 1.00 0.00 N ATOM 0 H HIS A 70 1.880 4.322 1.342 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.836 4.885 0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.448 3.218 2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.201 2.622 1.100 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.262 1.130 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.200 4.538 4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.483 0.966 4.600 1.00 0.00 H new ATOM 1107 N TRP A 71 0.459 6.425 3.015 1.00 0.00 N ATOM 1108 CA TRP A 71 0.220 7.467 4.000 1.00 0.00 C ATOM 1109 C TRP A 71 0.023 8.802 3.291 1.00 0.00 C ATOM 1110 O TRP A 71 -0.750 9.649 3.742 1.00 0.00 O ATOM 1111 CB TRP A 71 1.382 7.560 4.993 1.00 0.00 C ATOM 1112 CG TRP A 71 0.936 7.635 6.422 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.029 6.650 7.362 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.324 8.755 7.072 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.513 7.088 8.557 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.073 8.377 8.405 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.035 10.041 6.659 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.519 9.239 9.324 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -0.624 10.895 7.572 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -0.861 10.492 8.891 1.00 0.00 C ATOM 0 H TRP A 71 1.443 6.233 2.830 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.681 7.218 4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.029 6.692 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.981 8.441 4.760 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.447 5.669 7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.465 6.543 9.418 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.145 10.362 5.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.702 8.930 10.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.906 11.890 7.262 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.323 11.183 9.581 1.00 0.00 H new ATOM 1131 N ARG A 72 0.716 8.977 2.164 1.00 0.00 N ATOM 1132 CA ARG A 72 0.605 10.204 1.386 1.00 0.00 C ATOM 1133 C ARG A 72 -0.688 10.203 0.579 1.00 0.00 C ATOM 1134 O ARG A 72 -1.288 11.251 0.344 1.00 0.00 O ATOM 1135 CB ARG A 72 1.807 10.352 0.451 1.00 0.00 C ATOM 1136 CG ARG A 72 1.748 11.594 -0.426 1.00 0.00 C ATOM 1137 CD ARG A 72 2.723 11.508 -1.590 1.00 0.00 C ATOM 1138 NE ARG A 72 2.036 11.517 -2.881 1.00 0.00 N ATOM 1139 CZ ARG A 72 1.604 10.421 -3.504 1.00 0.00 C ATOM 1140 NH1 ARG A 72 1.784 9.223 -2.963 1.00 0.00 N ATOM 1141 NH2 ARG A 72 0.988 10.525 -4.673 1.00 0.00 N ATOM 0 H ARG A 72 1.356 8.285 1.774 1.00 0.00 H new ATOM 0 HA ARG A 72 0.590 11.050 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.719 10.382 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.871 9.470 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.735 11.722 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.975 12.475 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.418 12.346 -1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.315 10.597 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 72 1.878 12.418 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.256 9.136 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.450 8.389 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.845 11.443 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.657 9.687 -5.151 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.113 9.014 0.163 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.335 8.891 -0.608 1.00 0.00 C ATOM 1157 C GLY A 73 -3.568 8.873 0.272 1.00 0.00 C ATOM 1158 O GLY A 73 -4.609 9.416 -0.097 1.00 0.00 O ATOM 0 H GLY A 73 -0.632 8.133 0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.404 9.721 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.299 7.976 -1.199 1.00 0.00 H new ATOM 1162 N THR A 74 -3.453 8.248 1.441 1.00 0.00 N ATOM 1163 CA THR A 74 -4.569 8.166 2.374 1.00 0.00 C ATOM 1164 C THR A 74 -4.869 9.534 2.980 1.00 0.00 C ATOM 1165 O THR A 74 -6.026 9.947 3.059 1.00 0.00 O ATOM 1166 CB THR A 74 -4.263 7.157 3.486 1.00 0.00 C ATOM 1167 OG1 THR A 74 -5.409 6.927 4.283 1.00 0.00 O ATOM 1168 CG2 THR A 74 -3.145 7.596 4.406 1.00 0.00 C ATOM 0 H THR A 74 -2.599 7.792 1.763 1.00 0.00 H new ATOM 0 HA THR A 74 -5.447 7.830 1.823 1.00 0.00 H new ATOM 0 HB THR A 74 -3.950 6.249 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.194 6.279 4.986 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.982 6.835 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.231 7.733 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.416 8.537 4.884 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.820 10.233 3.402 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.974 11.555 3.998 1.00 0.00 C ATOM 1178 C LEU A 75 -4.532 12.548 2.984 1.00 0.00 C ATOM 1179 O LEU A 75 -5.232 13.494 3.344 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.631 12.058 4.534 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.728 13.018 5.719 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -3.463 14.288 5.319 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -3.421 12.345 6.895 1.00 0.00 C ATOM 0 H LEU A 75 -2.856 9.906 3.342 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.679 11.471 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.030 11.198 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.097 12.556 3.725 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.718 13.290 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.522 14.959 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.925 14.780 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.470 14.036 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.481 13.043 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.426 12.043 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.852 11.466 7.198 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.218 12.325 1.711 1.00 0.00 N ATOM 1196 CA ARG A 76 -4.688 13.200 0.642 1.00 0.00 C ATOM 1197 C ARG A 76 -5.746 12.502 -0.205 1.00 0.00 C ATOM 1198 O ARG A 76 -6.135 11.369 0.077 1.00 0.00 O ATOM 1199 CB ARG A 76 -3.515 13.635 -0.239 1.00 0.00 C ATOM 1200 CG ARG A 76 -2.668 14.737 0.375 1.00 0.00 C ATOM 1201 CD ARG A 76 -3.422 16.057 0.427 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.055 16.941 -0.677 1.00 0.00 N ATOM 1203 CZ ARG A 76 -1.856 17.502 -0.810 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -0.904 17.272 0.087 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -1.604 18.293 -1.844 1.00 0.00 N ATOM 0 H ARG A 76 -3.640 11.546 1.395 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.138 14.082 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.882 12.771 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.900 13.977 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.368 14.448 1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.754 14.861 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.494 15.863 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.216 16.555 1.374 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.759 17.140 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.090 16.662 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.013 17.705 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.330 18.472 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.684 18.723 -1.945 1.00 0.00 H new ATOM 1219 N TYR A 77 -6.210 13.186 -1.246 1.00 0.00 N ATOM 1220 CA TYR A 77 -7.226 12.630 -2.134 1.00 0.00 C ATOM 1221 C TYR A 77 -6.962 13.033 -3.581 1.00 0.00 C ATOM 1222 O TYR A 77 -6.092 13.860 -3.858 1.00 0.00 O ATOM 1223 CB TYR A 77 -8.619 13.098 -1.707 1.00 0.00 C ATOM 1224 CG TYR A 77 -9.334 12.121 -0.802 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -9.758 10.887 -1.278 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -9.587 12.434 0.528 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -10.413 9.992 -0.453 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -10.239 11.544 1.359 1.00 0.00 C ATOM 1229 CZ TYR A 77 -10.651 10.325 0.864 1.00 0.00 C ATOM 1230 OH TYR A 77 -11.303 9.435 1.687 1.00 0.00 O ATOM 0 H TYR A 77 -5.899 14.125 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.179 11.543 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.530 14.056 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.225 13.267 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.573 10.623 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.268 13.389 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.737 9.036 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.425 11.802 2.391 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.390 9.822 2.583 1.00 0.00 H new ATOM 1240 N LYS A 78 -7.717 12.443 -4.502 1.00 0.00 N ATOM 1241 CA LYS A 78 -7.566 12.738 -5.922 1.00 0.00 C ATOM 1242 C LYS A 78 -6.166 12.374 -6.407 1.00 0.00 C ATOM 1243 O LYS A 78 -5.258 12.156 -5.606 1.00 0.00 O ATOM 1244 CB LYS A 78 -7.841 14.221 -6.187 1.00 0.00 C ATOM 1245 CG LYS A 78 -9.249 14.496 -6.689 1.00 0.00 C ATOM 1246 CD LYS A 78 -10.169 14.930 -5.559 1.00 0.00 C ATOM 1247 CE LYS A 78 -11.627 14.654 -5.890 1.00 0.00 C ATOM 1248 NZ LYS A 78 -12.172 15.642 -6.862 1.00 0.00 N ATOM 0 H LYS A 78 -8.441 11.756 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.289 12.137 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.675 14.783 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.124 14.590 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.219 15.273 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.650 13.599 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.897 14.404 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.034 15.994 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.722 13.649 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.218 14.681 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.168 15.419 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.105 16.598 -6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.624 15.599 -7.745 1.00 0.00 H new ATOM 1262 N VAL A 79 -6.000 12.308 -7.724 1.00 0.00 N ATOM 1263 CA VAL A 79 -4.712 11.969 -8.316 1.00 0.00 C ATOM 1264 C VAL A 79 -4.426 12.832 -9.540 1.00 0.00 C ATOM 1265 O VAL A 79 -5.271 13.618 -9.970 1.00 0.00 O ATOM 1266 CB VAL A 79 -4.654 10.485 -8.724 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -4.517 9.599 -7.497 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -5.886 10.105 -9.532 1.00 0.00 C ATOM 0 H VAL A 79 -6.742 12.485 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.955 12.159 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.776 10.333 -9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.478 8.554 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.601 9.855 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.374 9.752 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.828 9.053 -9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.780 10.272 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.934 10.717 -10.432 1.00 0.00 H new ATOM 1278 N ILE A 80 -3.229 12.681 -10.097 1.00 0.00 N ATOM 1279 CA ILE A 80 -2.831 13.447 -11.272 1.00 0.00 C ATOM 1280 C ILE A 80 -2.537 12.527 -12.454 1.00 0.00 C ATOM 1281 O ILE A 80 -2.074 11.400 -12.276 1.00 0.00 O ATOM 1282 CB ILE A 80 -1.585 14.308 -10.987 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -0.446 13.437 -10.454 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -1.921 15.414 -10.000 1.00 0.00 C ATOM 1285 CD1 ILE A 80 0.910 13.807 -11.015 1.00 0.00 C ATOM 0 H ILE A 80 -2.518 12.035 -9.754 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.667 14.101 -11.521 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.258 14.767 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.415 13.518 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.656 12.394 -10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.031 16.014 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.703 16.048 -10.417 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.270 14.974 -9.066 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.670 13.149 -10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.897 13.699 -12.100 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.141 14.840 -10.756 1.00 0.00 H new ATOM 1297 N GLN A 81 -2.813 13.015 -13.659 1.00 0.00 N ATOM 1298 CA GLN A 81 -2.580 12.237 -14.871 1.00 0.00 C ATOM 1299 C GLN A 81 -1.620 12.964 -15.806 1.00 0.00 C ATOM 1300 O GLN A 81 -1.909 14.066 -16.274 1.00 0.00 O ATOM 1301 CB GLN A 81 -3.902 11.963 -15.588 1.00 0.00 C ATOM 1302 CG GLN A 81 -3.879 10.708 -16.446 1.00 0.00 C ATOM 1303 CD GLN A 81 -4.967 9.722 -16.066 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -4.685 8.598 -15.647 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -6.220 10.136 -16.212 1.00 0.00 N ATOM 0 H GLN A 81 -3.198 13.945 -13.823 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.129 11.287 -14.583 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.696 11.872 -14.847 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.149 12.819 -16.217 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.996 10.986 -17.493 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.907 10.225 -16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.409 11.075 -16.562 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.993 9.515 -15.974 1.00 0.00 H new ATOM 1314 N GLN A 82 -0.478 12.341 -16.076 1.00 0.00 N ATOM 1315 CA GLN A 82 0.524 12.929 -16.957 1.00 0.00 C ATOM 1316 C GLN A 82 1.103 11.880 -17.900 1.00 0.00 C ATOM 1317 O GLN A 82 0.863 10.683 -17.735 1.00 0.00 O ATOM 1318 CB GLN A 82 1.646 13.566 -16.133 1.00 0.00 C ATOM 1319 CG GLN A 82 2.220 12.642 -15.072 1.00 0.00 C ATOM 1320 CD GLN A 82 3.666 12.273 -15.339 1.00 0.00 C ATOM 1321 OE1 GLN A 82 4.514 13.283 -15.503 1.00 0.00 O flip ATOM 1322 NE2 GLN A 82 4.019 11.095 -15.397 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.223 11.429 -15.697 1.00 0.00 H new ATOM 0 HA GLN A 82 0.038 13.700 -17.555 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.447 13.877 -16.804 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.266 14.467 -15.651 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.146 13.124 -14.097 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.620 11.733 -15.024 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.334 10.350 -15.265 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.996 10.864 -15.577 1.00 0.00 H new ATOM 1331 N GLN A 83 1.864 12.335 -18.889 1.00 0.00 N ATOM 1332 CA GLN A 83 2.478 11.436 -19.858 1.00 0.00 C ATOM 1333 C GLN A 83 3.956 11.227 -19.548 1.00 0.00 C ATOM 1334 O GLN A 83 4.635 12.135 -19.067 1.00 0.00 O ATOM 1335 CB GLN A 83 2.314 11.991 -21.275 1.00 0.00 C ATOM 1336 CG GLN A 83 2.985 13.339 -21.480 1.00 0.00 C ATOM 1337 CD GLN A 83 4.283 13.234 -22.256 1.00 0.00 C ATOM 1338 OE1 GLN A 83 5.277 12.708 -21.757 1.00 0.00 O ATOM 1339 NE2 GLN A 83 4.280 13.736 -23.486 1.00 0.00 N ATOM 0 H GLN A 83 2.070 13.322 -19.041 1.00 0.00 H new ATOM 0 HA GLN A 83 1.973 10.472 -19.792 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.728 11.276 -21.987 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.251 12.085 -21.499 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.302 14.003 -22.010 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.183 13.793 -20.509 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.433 14.163 -23.860 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.125 13.694 -24.056 1.00 0.00 H new ATOM 1348 N GLY A 84 4.450 10.024 -19.826 1.00 0.00 N ATOM 1349 CA GLY A 84 5.845 9.719 -19.570 1.00 0.00 C ATOM 1350 C GLY A 84 6.106 9.374 -18.118 1.00 0.00 C ATOM 1351 O GLY A 84 5.728 10.122 -17.216 1.00 0.00 O ATOM 0 H GLY A 84 3.909 9.256 -20.224 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.153 8.884 -20.200 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.459 10.574 -19.853 1.00 0.00 H new ATOM 1355 N TYR A 85 6.756 8.237 -17.888 1.00 0.00 N ATOM 1356 CA TYR A 85 7.068 7.793 -16.535 1.00 0.00 C ATOM 1357 C TYR A 85 8.376 8.411 -16.048 1.00 0.00 C ATOM 1358 O TYR A 85 8.373 9.323 -15.221 1.00 0.00 O ATOM 1359 CB TYR A 85 7.161 6.268 -16.485 1.00 0.00 C ATOM 1360 CG TYR A 85 5.837 5.572 -16.708 1.00 0.00 C ATOM 1361 CD1 TYR A 85 5.395 5.273 -17.991 1.00 0.00 C ATOM 1362 CD2 TYR A 85 5.028 5.216 -15.636 1.00 0.00 C ATOM 1363 CE1 TYR A 85 4.186 4.639 -18.199 1.00 0.00 C ATOM 1364 CE2 TYR A 85 3.817 4.581 -15.837 1.00 0.00 C ATOM 1365 CZ TYR A 85 3.401 4.295 -17.120 1.00 0.00 C ATOM 1366 OH TYR A 85 2.196 3.663 -17.323 1.00 0.00 O ATOM 0 H TYR A 85 7.077 7.606 -18.623 1.00 0.00 H new ATOM 0 HA TYR A 85 6.264 8.122 -15.877 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.871 5.931 -17.240 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.561 5.968 -15.516 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.007 5.541 -18.840 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.351 5.439 -14.630 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.857 4.414 -19.203 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.200 4.310 -14.993 1.00 0.00 H new ATOM 0 HH TYR A 85 1.768 3.490 -16.459 1.00 0.00 H new ATOM 1376 N ARG A 86 9.490 7.908 -16.567 1.00 0.00 N ATOM 1377 CA ARG A 86 10.805 8.411 -16.185 1.00 0.00 C ATOM 1378 C ARG A 86 11.812 8.223 -17.317 1.00 0.00 C ATOM 1379 O ARG A 86 13.009 8.074 -17.077 1.00 0.00 O ATOM 1380 CB ARG A 86 11.299 7.699 -14.924 1.00 0.00 C ATOM 1381 CG ARG A 86 10.613 8.167 -13.653 1.00 0.00 C ATOM 1382 CD ARG A 86 11.546 8.093 -12.456 1.00 0.00 C ATOM 1383 NE ARG A 86 10.842 8.330 -11.197 1.00 0.00 N ATOM 1384 CZ ARG A 86 11.332 8.005 -10.002 1.00 0.00 C ATOM 1385 NH1 ARG A 86 12.522 7.430 -9.898 1.00 0.00 N ATOM 1386 NH2 ARG A 86 10.626 8.257 -8.909 1.00 0.00 N ATOM 0 H ARG A 86 9.510 7.153 -17.253 1.00 0.00 H new ATOM 0 HA ARG A 86 10.712 9.478 -15.980 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.142 6.626 -15.038 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.373 7.855 -14.826 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.266 9.192 -13.782 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.732 7.553 -13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.021 7.112 -12.427 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.342 8.829 -12.571 1.00 0.00 H new ATOM 0 HE ARG A 86 9.922 8.770 -11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.069 7.234 -10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.891 7.184 -8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.710 8.699 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.999 8.009 -7.993 1.00 0.00 H new ATOM 1400 N GLY A 87 11.316 8.232 -18.550 1.00 0.00 N ATOM 1401 CA GLY A 87 12.186 8.062 -19.701 1.00 0.00 C ATOM 1402 C GLY A 87 12.974 6.768 -19.648 1.00 0.00 C ATOM 1403 O GLY A 87 12.560 5.806 -19.001 1.00 0.00 O ATOM 0 H GLY A 87 10.328 8.354 -18.773 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.587 8.081 -20.611 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.878 8.903 -19.757 1.00 0.00 H new ATOM 1407 N LYS A 88 14.115 6.744 -20.331 1.00 0.00 N ATOM 1408 CA LYS A 88 14.965 5.560 -20.360 1.00 0.00 C ATOM 1409 C LYS A 88 16.296 5.829 -19.666 1.00 0.00 C ATOM 1410 O LYS A 88 16.542 6.933 -19.178 1.00 0.00 O ATOM 1411 CB LYS A 88 15.209 5.116 -21.803 1.00 0.00 C ATOM 1412 CG LYS A 88 15.807 6.205 -22.681 1.00 0.00 C ATOM 1413 CD LYS A 88 14.974 6.439 -23.931 1.00 0.00 C ATOM 1414 CE LYS A 88 15.416 7.692 -24.670 1.00 0.00 C ATOM 1415 NZ LYS A 88 15.297 8.910 -23.820 1.00 0.00 N ATOM 0 H LYS A 88 14.472 7.532 -20.872 1.00 0.00 H new ATOM 0 HA LYS A 88 14.451 4.762 -19.824 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.877 4.254 -21.802 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.265 4.787 -22.238 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.879 7.132 -22.113 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.821 5.926 -22.966 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.059 5.577 -24.592 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.923 6.529 -23.657 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.450 7.576 -24.995 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.811 7.816 -25.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.257 9.754 -24.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.429 8.852 -23.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.122 8.975 -23.190 1.00 0.00 H new ATOM 1429 N ASN A 89 17.152 4.814 -19.625 1.00 0.00 N ATOM 1430 CA ASN A 89 18.459 4.942 -18.991 1.00 0.00 C ATOM 1431 C ASN A 89 19.325 5.957 -19.730 1.00 0.00 C ATOM 1432 O ASN A 89 19.250 6.078 -20.953 1.00 0.00 O ATOM 1433 CB ASN A 89 19.164 3.585 -18.950 1.00 0.00 C ATOM 1434 CG ASN A 89 19.898 3.354 -17.644 1.00 0.00 C ATOM 1435 OD1 ASN A 89 19.789 4.147 -16.708 1.00 0.00 O ATOM 1436 ND2 ASN A 89 20.651 2.263 -17.572 1.00 0.00 N ATOM 0 H ASN A 89 16.964 3.894 -20.023 1.00 0.00 H new ATOM 0 HA ASN A 89 18.308 5.296 -17.971 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.430 2.793 -19.096 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.871 3.521 -19.777 1.00 0.00 H new ATOM 0 HD21 ASN A 89 21.167 2.055 -16.717 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.713 1.633 -18.371 1.00 0.00 H new ATOM 1443 N SER A 90 20.147 6.683 -18.979 1.00 0.00 N ATOM 1444 CA SER A 90 21.028 7.688 -19.563 1.00 0.00 C ATOM 1445 C SER A 90 22.426 7.122 -19.787 1.00 0.00 C ATOM 1446 O SER A 90 22.721 5.994 -19.393 1.00 0.00 O ATOM 1447 CB SER A 90 21.102 8.919 -18.658 1.00 0.00 C ATOM 1448 OG SER A 90 19.810 9.441 -18.400 1.00 0.00 O ATOM 0 H SER A 90 20.221 6.594 -17.966 1.00 0.00 H new ATOM 0 HA SER A 90 20.615 7.980 -20.529 1.00 0.00 H new ATOM 0 HB2 SER A 90 21.585 8.654 -17.717 1.00 0.00 H new ATOM 0 HB3 SER A 90 21.719 9.684 -19.129 1.00 0.00 H new ATOM 0 HG SER A 90 19.885 10.226 -17.818 1.00 0.00 H new ATOM 1454 N VAL A 91 23.284 7.912 -20.423 1.00 0.00 N ATOM 1455 CA VAL A 91 24.653 7.490 -20.699 1.00 0.00 C ATOM 1456 C VAL A 91 24.677 6.244 -21.577 1.00 0.00 C ATOM 1457 O VAL A 91 24.485 5.128 -21.094 1.00 0.00 O ATOM 1458 CB VAL A 91 25.425 7.203 -19.398 1.00 0.00 C ATOM 1459 CG1 VAL A 91 26.897 6.959 -19.693 1.00 0.00 C ATOM 1460 CG2 VAL A 91 25.254 8.347 -18.411 1.00 0.00 C ATOM 0 H VAL A 91 23.056 8.848 -20.757 1.00 0.00 H new ATOM 0 HA VAL A 91 25.138 8.312 -21.226 1.00 0.00 H new ATOM 0 HB VAL A 91 25.014 6.300 -18.946 1.00 0.00 H new ATOM 0 HG11 VAL A 91 27.426 6.758 -18.762 1.00 0.00 H new ATOM 0 HG12 VAL A 91 26.997 6.102 -20.360 1.00 0.00 H new ATOM 0 HG13 VAL A 91 27.324 7.842 -20.170 1.00 0.00 H new ATOM 0 HG21 VAL A 91 25.807 8.126 -17.498 1.00 0.00 H new ATOM 0 HG22 VAL A 91 25.635 9.268 -18.852 1.00 0.00 H new ATOM 0 HG23 VAL A 91 24.197 8.469 -18.175 1.00 0.00 H new ATOM 1470 N ALA A 92 24.911 6.442 -22.870 1.00 0.00 N ATOM 1471 CA ALA A 92 24.959 5.334 -23.816 1.00 0.00 C ATOM 1472 C ALA A 92 26.398 4.913 -24.095 1.00 0.00 C ATOM 1473 O ALA A 92 27.335 5.678 -23.869 1.00 0.00 O ATOM 1474 CB ALA A 92 24.259 5.716 -25.111 1.00 0.00 C ATOM 0 H ALA A 92 25.070 7.359 -23.286 1.00 0.00 H new ATOM 0 HA ALA A 92 24.439 4.485 -23.371 1.00 0.00 H new ATOM 0 HB1 ALA A 92 24.302 4.879 -25.808 1.00 0.00 H new ATOM 0 HB2 ALA A 92 23.218 5.961 -24.903 1.00 0.00 H new ATOM 0 HB3 ALA A 92 24.755 6.581 -25.551 1.00 0.00 H new ATOM 1480 N ALA A 93 26.565 3.689 -24.587 1.00 0.00 N ATOM 1481 CA ALA A 93 27.890 3.165 -24.896 1.00 0.00 C ATOM 1482 C ALA A 93 28.221 3.346 -26.374 1.00 0.00 C ATOM 1483 O ALA A 93 28.028 2.435 -27.180 1.00 0.00 O ATOM 1484 CB ALA A 93 27.980 1.697 -24.509 1.00 0.00 C ATOM 0 H ALA A 93 25.800 3.043 -24.780 1.00 0.00 H new ATOM 0 HA ALA A 93 28.621 3.728 -24.315 1.00 0.00 H new ATOM 0 HB1 ALA A 93 28.975 1.319 -24.745 1.00 0.00 H new ATOM 0 HB2 ALA A 93 27.796 1.591 -23.440 1.00 0.00 H new ATOM 0 HB3 ALA A 93 27.234 1.128 -25.064 1.00 0.00 H new ATOM 1490 N ARG A 94 28.719 4.527 -26.723 1.00 0.00 N ATOM 1491 CA ARG A 94 29.077 4.828 -28.105 1.00 0.00 C ATOM 1492 C ARG A 94 30.591 4.842 -28.284 1.00 0.00 C ATOM 1493 O ARG A 94 31.122 4.237 -29.215 1.00 0.00 O ATOM 1494 CB ARG A 94 28.485 6.177 -28.525 1.00 0.00 C ATOM 1495 CG ARG A 94 27.552 6.085 -29.721 1.00 0.00 C ATOM 1496 CD ARG A 94 27.713 7.279 -30.649 1.00 0.00 C ATOM 1497 NE ARG A 94 26.445 7.677 -31.252 1.00 0.00 N ATOM 1498 CZ ARG A 94 25.461 8.274 -30.585 1.00 0.00 C ATOM 1499 NH1 ARG A 94 25.593 8.540 -29.290 1.00 0.00 N ATOM 1500 NH2 ARG A 94 24.339 8.604 -31.210 1.00 0.00 N ATOM 0 H ARG A 94 28.884 5.292 -26.068 1.00 0.00 H new ATOM 0 HA ARG A 94 28.663 4.045 -28.741 1.00 0.00 H new ATOM 0 HB2 ARG A 94 27.941 6.604 -27.682 1.00 0.00 H new ATOM 0 HB3 ARG A 94 29.298 6.864 -28.761 1.00 0.00 H new ATOM 0 HG2 ARG A 94 27.754 5.166 -30.271 1.00 0.00 H new ATOM 0 HG3 ARG A 94 26.520 6.029 -29.375 1.00 0.00 H new ATOM 0 HD2 ARG A 94 28.129 8.118 -30.091 1.00 0.00 H new ATOM 0 HD3 ARG A 94 28.427 7.034 -31.435 1.00 0.00 H new ATOM 0 HE ARG A 94 26.305 7.486 -32.244 1.00 0.00 H new ATOM 0 HH11 ARG A 94 26.452 8.286 -28.802 1.00 0.00 H new ATOM 0 HH12 ARG A 94 24.835 8.998 -28.784 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.230 8.400 -32.203 1.00 0.00 H new ATOM 0 HH22 ARG A 94 23.585 9.062 -30.697 1.00 0.00 H new ATOM 1514 N SER A 95 31.282 5.538 -27.385 1.00 0.00 N ATOM 1515 CA SER A 95 32.736 5.632 -27.443 1.00 0.00 C ATOM 1516 C SER A 95 33.384 4.327 -26.982 1.00 0.00 C ATOM 1517 O SER A 95 33.317 3.977 -25.802 1.00 0.00 O ATOM 1518 CB SER A 95 33.226 6.791 -26.574 1.00 0.00 C ATOM 1519 OG SER A 95 33.003 6.529 -25.199 1.00 0.00 O ATOM 0 H SER A 95 30.858 6.045 -26.608 1.00 0.00 H new ATOM 0 HA SER A 95 33.024 5.815 -28.478 1.00 0.00 H new ATOM 0 HB2 SER A 95 34.289 6.955 -26.748 1.00 0.00 H new ATOM 0 HB3 SER A 95 32.711 7.708 -26.861 1.00 0.00 H new ATOM 0 HG SER A 95 33.067 5.565 -25.035 1.00 0.00 H new ATOM 1525 N PRO A 96 34.024 3.584 -27.904 1.00 0.00 N ATOM 1526 CA PRO A 96 34.683 2.316 -27.573 1.00 0.00 C ATOM 1527 C PRO A 96 35.930 2.517 -26.720 1.00 0.00 C ATOM 1528 O PRO A 96 36.349 3.647 -26.470 1.00 0.00 O ATOM 1529 CB PRO A 96 35.057 1.742 -28.941 1.00 0.00 C ATOM 1530 CG PRO A 96 35.176 2.929 -29.831 1.00 0.00 C ATOM 1531 CD PRO A 96 34.158 3.920 -29.335 1.00 0.00 C ATOM 0 HA PRO A 96 34.038 1.663 -26.984 1.00 0.00 H new ATOM 0 HB2 PRO A 96 35.994 1.187 -28.894 1.00 0.00 H new ATOM 0 HB3 PRO A 96 34.295 1.051 -29.302 1.00 0.00 H new ATOM 0 HG2 PRO A 96 36.181 3.348 -29.791 1.00 0.00 H new ATOM 0 HG3 PRO A 96 34.985 2.659 -30.870 1.00 0.00 H new ATOM 0 HD2 PRO A 96 34.494 4.947 -29.477 1.00 0.00 H new ATOM 0 HD3 PRO A 96 33.209 3.820 -29.862 1.00 0.00 H new ATOM 1539 N GLU A 97 36.519 1.411 -26.274 1.00 0.00 N ATOM 1540 CA GLU A 97 37.719 1.466 -25.446 1.00 0.00 C ATOM 1541 C GLU A 97 38.711 0.383 -25.856 1.00 0.00 C ATOM 1542 O GLU A 97 38.399 -0.808 -25.814 1.00 0.00 O ATOM 1543 CB GLU A 97 37.353 1.305 -23.969 1.00 0.00 C ATOM 1544 CG GLU A 97 36.411 2.382 -23.455 1.00 0.00 C ATOM 1545 CD GLU A 97 35.802 2.032 -22.113 1.00 0.00 C ATOM 1546 OE1 GLU A 97 36.562 1.908 -21.129 1.00 0.00 O ATOM 1547 OE2 GLU A 97 34.564 1.880 -22.045 1.00 0.00 O ATOM 0 H GLU A 97 36.185 0.468 -26.472 1.00 0.00 H new ATOM 0 HA GLU A 97 38.188 2.439 -25.593 1.00 0.00 H new ATOM 0 HB2 GLU A 97 36.890 0.329 -23.822 1.00 0.00 H new ATOM 0 HB3 GLU A 97 38.266 1.318 -23.373 1.00 0.00 H new ATOM 0 HG2 GLU A 97 36.954 3.323 -23.369 1.00 0.00 H new ATOM 0 HG3 GLU A 97 35.614 2.539 -24.182 1.00 0.00 H new ATOM 1554 N LYS A 98 39.907 0.803 -26.254 1.00 0.00 N ATOM 1555 CA LYS A 98 40.946 -0.131 -26.672 1.00 0.00 C ATOM 1556 C LYS A 98 42.333 0.425 -26.369 1.00 0.00 C ATOM 1557 O LYS A 98 43.184 -0.270 -25.814 1.00 0.00 O ATOM 1558 CB LYS A 98 40.820 -0.433 -28.167 1.00 0.00 C ATOM 1559 CG LYS A 98 40.896 0.805 -29.045 1.00 0.00 C ATOM 1560 CD LYS A 98 40.624 0.471 -30.503 1.00 0.00 C ATOM 1561 CE LYS A 98 41.422 1.365 -31.439 1.00 0.00 C ATOM 1562 NZ LYS A 98 41.382 0.875 -32.844 1.00 0.00 N ATOM 0 H LYS A 98 40.181 1.785 -26.296 1.00 0.00 H new ATOM 0 HA LYS A 98 40.815 -1.055 -26.110 1.00 0.00 H new ATOM 0 HB2 LYS A 98 41.611 -1.124 -28.458 1.00 0.00 H new ATOM 0 HB3 LYS A 98 39.872 -0.940 -28.348 1.00 0.00 H new ATOM 0 HG2 LYS A 98 40.173 1.543 -28.699 1.00 0.00 H new ATOM 0 HG3 LYS A 98 41.883 1.258 -28.952 1.00 0.00 H new ATOM 0 HD2 LYS A 98 40.877 -0.572 -30.691 1.00 0.00 H new ATOM 0 HD3 LYS A 98 39.560 0.583 -30.710 1.00 0.00 H new ATOM 0 HE2 LYS A 98 41.026 2.380 -31.397 1.00 0.00 H new ATOM 0 HE3 LYS A 98 42.457 1.413 -31.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 41.938 1.512 -33.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 41.783 -0.083 -32.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 40.397 0.854 -33.176 1.00 0.00 H new ATOM 1576 N ALA A 99 42.555 1.683 -26.736 1.00 0.00 N ATOM 1577 CA ALA A 99 43.839 2.333 -26.504 1.00 0.00 C ATOM 1578 C ALA A 99 43.694 3.502 -25.536 1.00 0.00 C ATOM 1579 O ALA A 99 43.128 4.540 -25.880 1.00 0.00 O ATOM 1580 CB ALA A 99 44.434 2.807 -27.820 1.00 0.00 C ATOM 0 H ALA A 99 41.861 2.273 -27.196 1.00 0.00 H new ATOM 0 HA ALA A 99 44.513 1.604 -26.054 1.00 0.00 H new ATOM 0 HB1 ALA A 99 45.393 3.291 -27.633 1.00 0.00 H new ATOM 0 HB2 ALA A 99 44.581 1.953 -28.481 1.00 0.00 H new ATOM 0 HB3 ALA A 99 43.755 3.518 -28.291 1.00 0.00 H new ATOM 1586 N SER A 100 44.209 3.328 -24.323 1.00 0.00 N ATOM 1587 CA SER A 100 44.138 4.368 -23.303 1.00 0.00 C ATOM 1588 C SER A 100 45.534 4.767 -22.836 1.00 0.00 C ATOM 1589 O SER A 100 46.451 3.946 -22.814 1.00 0.00 O ATOM 1590 CB SER A 100 43.306 3.889 -22.112 1.00 0.00 C ATOM 1591 OG SER A 100 41.953 4.289 -22.240 1.00 0.00 O ATOM 0 H SER A 100 44.681 2.475 -24.022 1.00 0.00 H new ATOM 0 HA SER A 100 43.658 5.242 -23.743 1.00 0.00 H new ATOM 0 HB2 SER A 100 43.362 2.803 -22.039 1.00 0.00 H new ATOM 0 HB3 SER A 100 43.722 4.292 -21.189 1.00 0.00 H new ATOM 0 HG SER A 100 41.443 3.969 -21.467 1.00 0.00 H new ATOM 1597 N ASN A 101 45.688 6.035 -22.465 1.00 0.00 N ATOM 1598 CA ASN A 101 46.971 6.549 -21.997 1.00 0.00 C ATOM 1599 C ASN A 101 47.998 6.560 -23.126 1.00 0.00 C ATOM 1600 O ASN A 101 48.339 7.617 -23.657 1.00 0.00 O ATOM 1601 CB ASN A 101 47.487 5.711 -20.824 1.00 0.00 C ATOM 1602 CG ASN A 101 47.860 6.562 -19.626 1.00 0.00 C ATOM 1603 OD1 ASN A 101 46.992 7.030 -18.889 1.00 0.00 O ATOM 1604 ND2 ASN A 101 49.156 6.767 -19.425 1.00 0.00 N ATOM 0 H ASN A 101 44.938 6.727 -22.480 1.00 0.00 H new ATOM 0 HA ASN A 101 46.821 7.574 -21.659 1.00 0.00 H new ATOM 0 HB2 ASN A 101 46.723 4.991 -20.531 1.00 0.00 H new ATOM 0 HB3 ASN A 101 48.357 5.139 -21.145 1.00 0.00 H new ATOM 0 HD21 ASN A 101 49.466 7.332 -18.634 1.00 0.00 H new ATOM 0 HD22 ASN A 101 49.841 6.360 -20.061 1.00 0.00 H new ATOM 1611 N MET A 102 48.485 5.378 -23.488 1.00 0.00 N ATOM 1612 CA MET A 102 49.474 5.252 -24.554 1.00 0.00 C ATOM 1613 C MET A 102 49.137 4.082 -25.472 1.00 0.00 C ATOM 1614 O MET A 102 48.253 3.279 -25.173 1.00 0.00 O ATOM 1615 CB MET A 102 50.873 5.067 -23.962 1.00 0.00 C ATOM 1616 CG MET A 102 50.933 4.027 -22.855 1.00 0.00 C ATOM 1617 SD MET A 102 52.489 4.069 -21.946 1.00 0.00 S ATOM 1618 CE MET A 102 52.317 2.616 -20.914 1.00 0.00 C ATOM 0 H MET A 102 48.212 4.494 -23.060 1.00 0.00 H new ATOM 0 HA MET A 102 49.456 6.169 -25.143 1.00 0.00 H new ATOM 0 HB2 MET A 102 51.560 4.778 -24.758 1.00 0.00 H new ATOM 0 HB3 MET A 102 51.222 6.023 -23.571 1.00 0.00 H new ATOM 0 HG2 MET A 102 50.108 4.191 -22.162 1.00 0.00 H new ATOM 0 HG3 MET A 102 50.795 3.035 -23.286 1.00 0.00 H new ATOM 0 HE1 MET A 102 53.204 2.505 -20.291 1.00 0.00 H new ATOM 0 HE2 MET A 102 51.438 2.723 -20.278 1.00 0.00 H new ATOM 0 HE3 MET A 102 52.204 1.734 -21.544 1.00 0.00 H new ATOM 1628 N GLU A 103 49.851 3.989 -26.589 1.00 0.00 N ATOM 1629 CA GLU A 103 49.628 2.915 -27.551 1.00 0.00 C ATOM 1630 C GLU A 103 50.947 2.433 -28.144 1.00 0.00 C ATOM 1631 O GLU A 103 51.320 1.270 -27.991 1.00 0.00 O ATOM 1632 CB GLU A 103 48.694 3.387 -28.668 1.00 0.00 C ATOM 1633 CG GLU A 103 47.738 2.312 -29.157 1.00 0.00 C ATOM 1634 CD GLU A 103 47.463 2.410 -30.645 1.00 0.00 C ATOM 1635 OE1 GLU A 103 48.434 2.498 -31.424 1.00 0.00 O ATOM 1636 OE2 GLU A 103 46.274 2.399 -31.030 1.00 0.00 O ATOM 0 H GLU A 103 50.588 4.644 -26.851 1.00 0.00 H new ATOM 0 HA GLU A 103 49.161 2.082 -27.025 1.00 0.00 H new ATOM 0 HB2 GLU A 103 48.117 4.240 -28.311 1.00 0.00 H new ATOM 0 HB3 GLU A 103 49.294 3.737 -29.508 1.00 0.00 H new ATOM 0 HG2 GLU A 103 48.155 1.330 -28.932 1.00 0.00 H new ATOM 0 HG3 GLU A 103 46.798 2.391 -28.611 1.00 0.00 H new ATOM 1643 N ASN A 104 51.650 3.334 -28.823 1.00 0.00 N ATOM 1644 CA ASN A 104 52.929 2.999 -29.439 1.00 0.00 C ATOM 1645 C ASN A 104 53.935 2.543 -28.388 1.00 0.00 C ATOM 1646 O ASN A 104 53.959 3.058 -27.271 1.00 0.00 O ATOM 1647 CB ASN A 104 53.481 4.204 -30.203 1.00 0.00 C ATOM 1648 CG ASN A 104 53.624 5.431 -29.323 1.00 0.00 C ATOM 1649 OD1 ASN A 104 52.644 6.115 -29.027 1.00 0.00 O ATOM 1650 ND2 ASN A 104 54.850 5.716 -28.900 1.00 0.00 N ATOM 0 H ASN A 104 51.356 4.301 -28.960 1.00 0.00 H new ATOM 0 HA ASN A 104 52.765 2.179 -30.138 1.00 0.00 H new ATOM 0 HB2 ASN A 104 54.453 3.948 -30.626 1.00 0.00 H new ATOM 0 HB3 ASN A 104 52.820 4.435 -31.039 1.00 0.00 H new ATOM 0 HD21 ASN A 104 55.008 6.529 -28.305 1.00 0.00 H new ATOM 0 HD22 ASN A 104 55.634 5.121 -29.170 1.00 0.00 H new ATOM 1657 N ASN A 105 54.766 1.572 -28.756 1.00 0.00 N ATOM 1658 CA ASN A 105 55.776 1.045 -27.845 1.00 0.00 C ATOM 1659 C ASN A 105 57.081 1.825 -27.967 1.00 0.00 C ATOM 1660 O ASN A 105 57.181 2.766 -28.755 1.00 0.00 O ATOM 1661 CB ASN A 105 56.025 -0.438 -28.131 1.00 0.00 C ATOM 1662 CG ASN A 105 56.399 -0.691 -29.578 1.00 0.00 C ATOM 1663 OD1 ASN A 105 57.461 -0.273 -30.040 1.00 0.00 O ATOM 1664 ND2 ASN A 105 55.525 -1.380 -30.303 1.00 0.00 N ATOM 0 H ASN A 105 54.760 1.135 -29.678 1.00 0.00 H new ATOM 0 HA ASN A 105 55.404 1.155 -26.826 1.00 0.00 H new ATOM 0 HB2 ASN A 105 56.823 -0.802 -27.483 1.00 0.00 H new ATOM 0 HB3 ASN A 105 55.129 -1.008 -27.885 1.00 0.00 H new ATOM 0 HD21 ASN A 105 55.722 -1.582 -31.283 1.00 0.00 H new ATOM 0 HD22 ASN A 105 54.657 -1.707 -29.879 1.00 0.00 H new ATOM 1671 N GLU A 106 58.077 1.428 -27.184 1.00 0.00 N ATOM 1672 CA GLU A 106 59.377 2.089 -27.204 1.00 0.00 C ATOM 1673 C GLU A 106 60.470 1.129 -27.661 1.00 0.00 C ATOM 1674 O GLU A 106 60.260 -0.097 -27.555 1.00 0.00 O ATOM 1675 CB GLU A 106 59.714 2.640 -25.816 1.00 0.00 C ATOM 1676 CG GLU A 106 59.149 4.028 -25.560 1.00 0.00 C ATOM 1677 CD GLU A 106 58.558 4.169 -24.169 1.00 0.00 C ATOM 1678 OE1 GLU A 106 57.732 3.314 -23.786 1.00 0.00 O ATOM 1679 OE2 GLU A 106 58.923 5.133 -23.464 1.00 0.00 O ATOM 1680 OXT GLU A 106 61.526 1.611 -28.119 1.00 0.00 O ATOM 0 H GLU A 106 58.010 0.651 -26.527 1.00 0.00 H new ATOM 0 HA GLU A 106 59.325 2.915 -27.913 1.00 0.00 H new ATOM 0 HB2 GLU A 106 59.331 1.955 -25.059 1.00 0.00 H new ATOM 0 HB3 GLU A 106 60.797 2.670 -25.699 1.00 0.00 H new ATOM 0 HG2 GLU A 106 59.938 4.768 -25.692 1.00 0.00 H new ATOM 0 HG3 GLU A 106 58.380 4.246 -26.301 1.00 0.00 H new TER 1687 GLU A 106