USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 957 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 20 MET CE :methyl 176:sc= -0.343 (180deg=-0.533) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -171:sc= -0.0209 (180deg=-0.162) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.49) USER MOD Single : A 19 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.4!) USER MOD Single : A 22 GLN : amide:sc= -0.404 K(o=-0.4,f=-2.1!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 65 SER OG : rot -150:sc= -0.836 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0.75 K(o=0.75,f=-6.9!) USER MOD Single : A 83 ASN : amide:sc= -5.6! C(o=-5.6!,f=-2.8!) USER MOD Single : A 84 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.16) USER MOD Single : A 85 THR OG1 : rot 17:sc= 0.912 USER MOD Single : A 89 GLN : amide:sc= -0.851 K(o=-0.85,f=-0.23) USER MOD Single : A 90 ASN : amide:sc= -0.935 K(o=-0.93,f=-0.42) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -5.89 K(o=-5.9,f=-4.7) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 94:sc= 0.754 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-0.03) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 26:sc= 0.133 USER MOD Single : A 121 SER OG : rot -55:sc= 0.013 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.910 -13.600 -10.504 1.00 0.00 N ATOM 2 CA GLY A 1 27.556 -12.666 -9.600 1.00 0.00 C ATOM 3 C GLY A 1 26.728 -11.417 -9.369 1.00 0.00 C ATOM 4 O GLY A 1 27.038 -10.352 -9.902 1.00 0.00 O ATOM 0 H1 GLY A 1 27.515 -14.437 -10.630 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.994 -13.891 -10.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.757 -13.142 -11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.740 -13.158 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.527 -12.384 -10.006 1.00 0.00 H new ATOM 8 N SER A 2 25.672 -11.548 -8.572 1.00 0.00 N ATOM 9 CA SER A 2 24.794 -10.422 -8.276 1.00 0.00 C ATOM 10 C SER A 2 24.293 -9.771 -9.562 1.00 0.00 C ATOM 11 O SER A 2 24.249 -8.546 -9.674 1.00 0.00 O ATOM 12 CB SER A 2 25.528 -9.388 -7.420 1.00 0.00 C ATOM 13 OG SER A 2 24.621 -8.668 -6.602 1.00 0.00 O ATOM 0 H SER A 2 25.404 -12.422 -8.120 1.00 0.00 H new ATOM 0 HA SER A 2 23.935 -10.799 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.268 -9.888 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.070 -8.696 -8.065 1.00 0.00 H new ATOM 0 HG SER A 2 25.114 -8.014 -6.063 1.00 0.00 H new ATOM 19 N SER A 3 23.915 -10.601 -10.529 1.00 0.00 N ATOM 20 CA SER A 3 23.420 -10.108 -11.809 1.00 0.00 C ATOM 21 C SER A 3 21.976 -10.545 -12.038 1.00 0.00 C ATOM 22 O SER A 3 21.536 -11.569 -11.517 1.00 0.00 O ATOM 23 CB SER A 3 24.305 -10.612 -12.951 1.00 0.00 C ATOM 24 OG SER A 3 24.057 -9.890 -14.145 1.00 0.00 O ATOM 0 H SER A 3 23.942 -11.618 -10.450 1.00 0.00 H new ATOM 0 HA SER A 3 23.453 -9.019 -11.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.354 -10.512 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.119 -11.673 -13.118 1.00 0.00 H new ATOM 0 HG SER A 3 24.636 -10.230 -14.859 1.00 0.00 H new ATOM 30 N GLY A 4 21.244 -9.761 -12.823 1.00 0.00 N ATOM 31 CA GLY A 4 19.858 -10.083 -13.109 1.00 0.00 C ATOM 32 C GLY A 4 19.464 -9.739 -14.531 1.00 0.00 C ATOM 33 O GLY A 4 20.299 -9.310 -15.327 1.00 0.00 O ATOM 0 H GLY A 4 21.586 -8.908 -13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.692 -11.146 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.213 -9.543 -12.416 1.00 0.00 H new ATOM 37 N SER A 5 18.188 -9.929 -14.853 1.00 0.00 N ATOM 38 CA SER A 5 17.686 -9.642 -16.191 1.00 0.00 C ATOM 39 C SER A 5 16.330 -8.947 -16.125 1.00 0.00 C ATOM 40 O SER A 5 15.515 -9.233 -15.247 1.00 0.00 O ATOM 41 CB SER A 5 17.572 -10.932 -17.004 1.00 0.00 C ATOM 42 OG SER A 5 18.851 -11.472 -17.288 1.00 0.00 O ATOM 0 H SER A 5 17.483 -10.281 -14.205 1.00 0.00 H new ATOM 0 HA SER A 5 18.394 -8.974 -16.682 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.980 -11.662 -16.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.043 -10.732 -17.936 1.00 0.00 H new ATOM 0 HG SER A 5 18.750 -12.297 -17.807 1.00 0.00 H new ATOM 48 N SER A 6 16.094 -8.032 -17.059 1.00 0.00 N ATOM 49 CA SER A 6 14.838 -7.293 -17.106 1.00 0.00 C ATOM 50 C SER A 6 13.712 -8.169 -17.646 1.00 0.00 C ATOM 51 O SER A 6 13.957 -9.174 -18.312 1.00 0.00 O ATOM 52 CB SER A 6 14.989 -6.043 -17.975 1.00 0.00 C ATOM 53 OG SER A 6 15.754 -5.051 -17.314 1.00 0.00 O ATOM 0 H SER A 6 16.756 -7.784 -17.794 1.00 0.00 H new ATOM 0 HA SER A 6 14.584 -6.991 -16.090 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.468 -6.308 -18.918 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.004 -5.645 -18.219 1.00 0.00 H new ATOM 0 HG SER A 6 15.837 -4.263 -17.891 1.00 0.00 H new ATOM 59 N GLY A 7 12.474 -7.778 -17.354 1.00 0.00 N ATOM 60 CA GLY A 7 11.328 -8.538 -17.817 1.00 0.00 C ATOM 61 C GLY A 7 10.828 -9.523 -16.780 1.00 0.00 C ATOM 62 O GLY A 7 11.610 -10.057 -15.992 1.00 0.00 O ATOM 0 H GLY A 7 12.245 -6.949 -16.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.523 -7.852 -18.079 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.596 -9.077 -18.726 1.00 0.00 H new ATOM 66 N LEU A 8 9.521 -9.764 -16.777 1.00 0.00 N ATOM 67 CA LEU A 8 8.917 -10.691 -15.826 1.00 0.00 C ATOM 68 C LEU A 8 9.204 -12.137 -16.218 1.00 0.00 C ATOM 69 O LEU A 8 9.663 -12.411 -17.326 1.00 0.00 O ATOM 70 CB LEU A 8 7.406 -10.462 -15.751 1.00 0.00 C ATOM 71 CG LEU A 8 6.949 -9.273 -14.905 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.398 -9.441 -13.461 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.484 -7.970 -15.483 1.00 0.00 C ATOM 0 H LEU A 8 8.860 -9.331 -17.422 1.00 0.00 H new ATOM 0 HA LEU A 8 9.356 -10.505 -14.846 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.028 -10.328 -16.765 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.941 -11.365 -15.354 1.00 0.00 H new ATOM 0 HG LEU A 8 5.860 -9.236 -14.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.064 -8.585 -12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.967 -10.354 -13.050 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.485 -9.504 -13.423 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.149 -7.135 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.574 -7.998 -15.495 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.113 -7.844 -16.500 1.00 0.00 H new ATOM 85 N GLY A 9 8.929 -13.059 -15.301 1.00 0.00 N ATOM 86 CA GLY A 9 9.162 -14.466 -15.570 1.00 0.00 C ATOM 87 C GLY A 9 8.074 -15.354 -14.999 1.00 0.00 C ATOM 88 O GLY A 9 6.889 -15.132 -15.248 1.00 0.00 O ATOM 0 H GLY A 9 8.549 -12.857 -14.376 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.225 -14.621 -16.647 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.124 -14.759 -15.149 1.00 0.00 H new ATOM 92 N ASN A 10 8.476 -16.363 -14.233 1.00 0.00 N ATOM 93 CA ASN A 10 7.526 -17.289 -13.628 1.00 0.00 C ATOM 94 C ASN A 10 6.267 -16.557 -13.173 1.00 0.00 C ATOM 95 O ASN A 10 5.152 -17.036 -13.375 1.00 0.00 O ATOM 96 CB ASN A 10 8.169 -18.007 -12.440 1.00 0.00 C ATOM 97 CG ASN A 10 9.599 -18.426 -12.722 1.00 0.00 C ATOM 98 OD1 ASN A 10 9.878 -19.088 -13.722 1.00 0.00 O ATOM 99 ND2 ASN A 10 10.513 -18.040 -11.840 1.00 0.00 N ATOM 0 H ASN A 10 9.453 -16.560 -14.017 1.00 0.00 H new ATOM 0 HA ASN A 10 7.245 -18.025 -14.381 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.150 -17.351 -11.569 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.578 -18.888 -12.188 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.492 -18.291 -11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.236 -17.492 -11.025 1.00 0.00 H new ATOM 106 N GLU A 11 6.455 -15.392 -12.560 1.00 0.00 N ATOM 107 CA GLU A 11 5.334 -14.595 -12.077 1.00 0.00 C ATOM 108 C GLU A 11 5.316 -13.222 -12.744 1.00 0.00 C ATOM 109 O GLU A 11 6.332 -12.758 -13.261 1.00 0.00 O ATOM 110 CB GLU A 11 5.411 -14.434 -10.557 1.00 0.00 C ATOM 111 CG GLU A 11 6.759 -13.933 -10.065 1.00 0.00 C ATOM 112 CD GLU A 11 7.825 -15.012 -10.087 1.00 0.00 C ATOM 113 OE1 GLU A 11 7.609 -16.073 -9.465 1.00 0.00 O ATOM 114 OE2 GLU A 11 8.876 -14.794 -10.726 1.00 0.00 O ATOM 0 H GLU A 11 7.372 -14.980 -12.387 1.00 0.00 H new ATOM 0 HA GLU A 11 4.412 -15.118 -12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.635 -13.740 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.196 -15.394 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.081 -13.097 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.653 -13.553 -9.049 1.00 0.00 H new ATOM 121 N ASP A 12 4.154 -12.579 -12.728 1.00 0.00 N ATOM 122 CA ASP A 12 4.001 -11.260 -13.330 1.00 0.00 C ATOM 123 C ASP A 12 3.433 -10.265 -12.324 1.00 0.00 C ATOM 124 O ASP A 12 2.942 -10.651 -11.262 1.00 0.00 O ATOM 125 CB ASP A 12 3.092 -11.338 -14.558 1.00 0.00 C ATOM 126 CG ASP A 12 3.266 -12.634 -15.325 1.00 0.00 C ATOM 127 OD1 ASP A 12 4.387 -12.891 -15.809 1.00 0.00 O ATOM 128 OD2 ASP A 12 2.279 -13.392 -15.442 1.00 0.00 O ATOM 0 H ASP A 12 3.304 -12.950 -12.304 1.00 0.00 H new ATOM 0 HA ASP A 12 4.987 -10.913 -13.639 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.053 -11.242 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.305 -10.497 -15.218 1.00 0.00 H new ATOM 133 N PHE A 13 3.503 -8.982 -12.663 1.00 0.00 N ATOM 134 CA PHE A 13 2.997 -7.931 -11.788 1.00 0.00 C ATOM 135 C PHE A 13 1.661 -8.334 -11.170 1.00 0.00 C ATOM 136 O PHE A 13 1.462 -8.212 -9.962 1.00 0.00 O ATOM 137 CB PHE A 13 2.839 -6.623 -12.566 1.00 0.00 C ATOM 138 CG PHE A 13 2.095 -5.561 -11.807 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.392 -5.303 -10.479 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.098 -4.821 -12.423 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.710 -4.326 -9.778 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.413 -3.843 -11.727 1.00 0.00 C ATOM 143 CZ PHE A 13 0.718 -3.596 -10.403 1.00 0.00 C ATOM 0 H PHE A 13 3.905 -8.645 -13.538 1.00 0.00 H new ATOM 0 HA PHE A 13 3.718 -7.783 -10.984 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.827 -6.245 -12.830 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.315 -6.826 -13.500 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.166 -5.872 -9.985 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.854 -5.011 -13.458 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.953 -4.134 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.361 -3.272 -12.219 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.182 -2.834 -9.857 1.00 0.00 H new ATOM 153 N ASN A 14 0.749 -8.813 -12.009 1.00 0.00 N ATOM 154 CA ASN A 14 -0.569 -9.233 -11.547 1.00 0.00 C ATOM 155 C ASN A 14 -0.459 -10.420 -10.595 1.00 0.00 C ATOM 156 O ASN A 14 -1.279 -10.581 -9.691 1.00 0.00 O ATOM 157 CB ASN A 14 -1.457 -9.601 -12.738 1.00 0.00 C ATOM 158 CG ASN A 14 -1.650 -8.441 -13.695 1.00 0.00 C ATOM 159 OD1 ASN A 14 -2.158 -7.386 -13.315 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.244 -8.632 -14.945 1.00 0.00 N ATOM 0 H ASN A 14 0.898 -8.920 -13.012 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.021 -8.399 -11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.013 -10.440 -13.273 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.429 -9.934 -12.374 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.348 -7.887 -15.634 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.828 -9.523 -15.216 1.00 0.00 H new ATOM 167 N SER A 15 0.560 -11.247 -10.804 1.00 0.00 N ATOM 168 CA SER A 15 0.776 -12.420 -9.966 1.00 0.00 C ATOM 169 C SER A 15 1.349 -12.022 -8.609 1.00 0.00 C ATOM 170 O SER A 15 0.794 -12.360 -7.564 1.00 0.00 O ATOM 171 CB SER A 15 1.721 -13.403 -10.662 1.00 0.00 C ATOM 172 OG SER A 15 1.524 -14.723 -10.186 1.00 0.00 O ATOM 0 H SER A 15 1.249 -11.126 -11.546 1.00 0.00 H new ATOM 0 HA SER A 15 -0.188 -12.903 -9.806 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.554 -13.373 -11.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.755 -13.102 -10.491 1.00 0.00 H new ATOM 0 HG SER A 15 2.138 -15.332 -10.647 1.00 0.00 H new ATOM 178 N VAL A 16 2.464 -11.299 -8.634 1.00 0.00 N ATOM 179 CA VAL A 16 3.113 -10.852 -7.407 1.00 0.00 C ATOM 180 C VAL A 16 2.110 -10.206 -6.458 1.00 0.00 C ATOM 181 O VAL A 16 2.123 -10.464 -5.255 1.00 0.00 O ATOM 182 CB VAL A 16 4.243 -9.848 -7.703 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.766 -8.779 -8.674 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.749 -9.220 -6.413 1.00 0.00 C ATOM 0 H VAL A 16 2.937 -11.010 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 16 3.538 -11.737 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 16 5.070 -10.385 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.577 -8.079 -8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.456 -9.248 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.922 -8.243 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.547 -8.513 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.931 -8.696 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.132 -10.000 -5.755 1.00 0.00 H new ATOM 194 N ILE A 17 1.240 -9.366 -7.009 1.00 0.00 N ATOM 195 CA ILE A 17 0.228 -8.685 -6.212 1.00 0.00 C ATOM 196 C ILE A 17 -0.778 -9.676 -5.636 1.00 0.00 C ATOM 197 O ILE A 17 -1.091 -9.637 -4.447 1.00 0.00 O ATOM 198 CB ILE A 17 -0.526 -7.629 -7.042 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.436 -6.537 -7.514 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.661 -7.026 -6.228 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.151 -5.832 -6.382 1.00 0.00 C ATOM 0 H ILE A 17 1.216 -9.141 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 17 0.752 -8.188 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.953 -8.116 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.176 -6.979 -8.181 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.119 -5.802 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.184 -6.282 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.358 -7.812 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.256 -6.551 -5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.816 -5.071 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.419 -5.360 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.734 -6.556 -5.813 1.00 0.00 H new ATOM 213 N GLN A 18 -1.280 -10.563 -6.489 1.00 0.00 N ATOM 214 CA GLN A 18 -2.250 -11.566 -6.064 1.00 0.00 C ATOM 215 C GLN A 18 -1.651 -12.491 -5.010 1.00 0.00 C ATOM 216 O GLN A 18 -2.374 -13.091 -4.215 1.00 0.00 O ATOM 217 CB GLN A 18 -2.729 -12.384 -7.265 1.00 0.00 C ATOM 218 CG GLN A 18 -3.813 -11.694 -8.077 1.00 0.00 C ATOM 219 CD GLN A 18 -5.052 -11.389 -7.258 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.506 -12.216 -6.468 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.605 -10.196 -7.442 1.00 0.00 N ATOM 0 H GLN A 18 -1.032 -10.608 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.102 -11.047 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.879 -12.594 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.106 -13.344 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.417 -10.766 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.087 -12.327 -8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.195 -9.541 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.440 -9.935 -6.918 1.00 0.00 H new ATOM 230 N GLN A 19 -0.326 -12.601 -5.011 1.00 0.00 N ATOM 231 CA GLN A 19 0.369 -13.455 -4.055 1.00 0.00 C ATOM 232 C GLN A 19 0.550 -12.741 -2.719 1.00 0.00 C ATOM 233 O GLN A 19 0.513 -13.367 -1.661 1.00 0.00 O ATOM 234 CB GLN A 19 1.731 -13.875 -4.611 1.00 0.00 C ATOM 235 CG GLN A 19 1.646 -14.957 -5.675 1.00 0.00 C ATOM 236 CD GLN A 19 2.882 -15.834 -5.714 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.499 -16.105 -4.684 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.251 -16.285 -6.908 1.00 0.00 N ATOM 0 H GLN A 19 0.287 -12.110 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.239 -14.345 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.227 -13.001 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.355 -14.231 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.770 -15.578 -5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.504 -14.492 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.711 -16.036 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.075 -16.880 -6.996 1.00 0.00 H new ATOM 247 N MET A 20 0.746 -11.428 -2.777 1.00 0.00 N ATOM 248 CA MET A 20 0.931 -10.630 -1.571 1.00 0.00 C ATOM 249 C MET A 20 -0.412 -10.282 -0.937 1.00 0.00 C ATOM 250 O MET A 20 -0.499 -10.058 0.270 1.00 0.00 O ATOM 251 CB MET A 20 1.702 -9.349 -1.896 1.00 0.00 C ATOM 252 CG MET A 20 3.020 -9.597 -2.611 1.00 0.00 C ATOM 253 SD MET A 20 3.494 -8.231 -3.688 1.00 0.00 S ATOM 254 CE MET A 20 3.863 -6.960 -2.481 1.00 0.00 C ATOM 0 H MET A 20 0.781 -10.894 -3.646 1.00 0.00 H new ATOM 0 HA MET A 20 1.506 -11.222 -0.858 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.077 -8.706 -2.516 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.897 -8.807 -0.970 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.804 -9.761 -1.872 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.942 -10.510 -3.201 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.240 -6.073 -2.990 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.956 -6.705 -1.932 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.618 -7.327 -1.785 1.00 0.00 H new ATOM 264 N ALA A 21 -1.456 -10.239 -1.759 1.00 0.00 N ATOM 265 CA ALA A 21 -2.794 -9.921 -1.277 1.00 0.00 C ATOM 266 C ALA A 21 -3.430 -11.124 -0.588 1.00 0.00 C ATOM 267 O ALA A 21 -4.183 -10.972 0.374 1.00 0.00 O ATOM 268 CB ALA A 21 -3.670 -9.446 -2.427 1.00 0.00 C ATOM 0 H ALA A 21 -1.400 -10.420 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.708 -9.119 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.667 -9.212 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.231 -8.554 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.740 -10.232 -3.179 1.00 0.00 H new ATOM 274 N GLN A 22 -3.123 -12.317 -1.086 1.00 0.00 N ATOM 275 CA GLN A 22 -3.666 -13.544 -0.518 1.00 0.00 C ATOM 276 C GLN A 22 -5.191 -13.511 -0.506 1.00 0.00 C ATOM 277 O GLN A 22 -5.821 -13.806 0.508 1.00 0.00 O ATOM 278 CB GLN A 22 -3.138 -13.751 0.903 1.00 0.00 C ATOM 279 CG GLN A 22 -1.634 -13.570 1.025 1.00 0.00 C ATOM 280 CD GLN A 22 -0.867 -14.849 0.754 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.459 -15.908 0.543 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.457 -14.759 0.757 1.00 0.00 N ATOM 0 H GLN A 22 -2.501 -12.460 -1.882 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.344 -14.377 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.636 -13.049 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.403 -14.754 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.307 -12.800 0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.395 -13.213 2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.907 -13.861 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.025 -15.588 0.580 1.00 0.00 H new ATOM 291 N GLY A 23 -5.779 -13.147 -1.642 1.00 0.00 N ATOM 292 CA GLY A 23 -7.225 -13.081 -1.741 1.00 0.00 C ATOM 293 C GLY A 23 -7.775 -11.736 -1.306 1.00 0.00 C ATOM 294 O GLY A 23 -8.744 -11.240 -1.880 1.00 0.00 O ATOM 0 H GLY A 23 -5.279 -12.897 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.525 -13.277 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.665 -13.866 -1.126 1.00 0.00 H new ATOM 298 N ARG A 24 -7.155 -11.146 -0.289 1.00 0.00 N ATOM 299 CA ARG A 24 -7.590 -9.853 0.224 1.00 0.00 C ATOM 300 C ARG A 24 -7.998 -8.925 -0.917 1.00 0.00 C ATOM 301 O ARG A 24 -7.303 -8.828 -1.928 1.00 0.00 O ATOM 302 CB ARG A 24 -6.476 -9.206 1.048 1.00 0.00 C ATOM 303 CG ARG A 24 -6.212 -9.906 2.371 1.00 0.00 C ATOM 304 CD ARG A 24 -5.105 -9.218 3.154 1.00 0.00 C ATOM 305 NE ARG A 24 -3.786 -9.751 2.821 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.647 -9.156 3.156 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.665 -8.014 3.830 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.486 -9.703 2.817 1.00 0.00 N ATOM 0 H ARG A 24 -6.350 -11.543 0.196 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.457 -10.017 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.558 -9.200 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.737 -8.166 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.126 -9.919 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.937 -10.944 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.126 -8.148 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.286 -9.340 4.222 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.737 -10.628 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.555 -7.591 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.789 -7.559 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.468 -10.581 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.612 -9.245 3.075 1.00 0.00 H new ATOM 322 N GLN A 25 -9.128 -8.247 -0.746 1.00 0.00 N ATOM 323 CA GLN A 25 -9.628 -7.328 -1.762 1.00 0.00 C ATOM 324 C GLN A 25 -8.638 -6.193 -2.005 1.00 0.00 C ATOM 325 O GLN A 25 -8.325 -5.425 -1.095 1.00 0.00 O ATOM 326 CB GLN A 25 -10.983 -6.757 -1.341 1.00 0.00 C ATOM 327 CG GLN A 25 -11.443 -5.588 -2.197 1.00 0.00 C ATOM 328 CD GLN A 25 -12.829 -5.100 -1.822 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.504 -5.697 -0.983 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.261 -4.009 -2.443 1.00 0.00 N ATOM 0 H GLN A 25 -9.714 -8.316 0.086 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.749 -7.885 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.732 -7.548 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.925 -6.435 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.733 -4.767 -2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.438 -5.886 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.668 -3.546 -3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.186 -3.634 -2.231 1.00 0.00 H new ATOM 339 N ILE A 26 -8.149 -6.095 -3.236 1.00 0.00 N ATOM 340 CA ILE A 26 -7.195 -5.054 -3.598 1.00 0.00 C ATOM 341 C ILE A 26 -7.911 -3.776 -4.022 1.00 0.00 C ATOM 342 O ILE A 26 -8.931 -3.824 -4.709 1.00 0.00 O ATOM 343 CB ILE A 26 -6.267 -5.512 -4.738 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.630 -6.861 -4.396 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.194 -4.466 -5.001 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.906 -7.500 -5.561 1.00 0.00 C ATOM 0 H ILE A 26 -8.398 -6.724 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.594 -4.854 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.861 -5.631 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.928 -6.724 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.406 -7.541 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.546 -4.805 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.665 -3.525 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.601 -4.318 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.480 -8.452 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.608 -7.669 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.108 -6.839 -5.900 1.00 0.00 H new ATOM 358 N GLU A 27 -7.367 -2.635 -3.610 1.00 0.00 N ATOM 359 CA GLU A 27 -7.954 -1.344 -3.949 1.00 0.00 C ATOM 360 C GLU A 27 -6.892 -0.386 -4.480 1.00 0.00 C ATOM 361 O GLU A 27 -5.703 -0.541 -4.197 1.00 0.00 O ATOM 362 CB GLU A 27 -8.641 -0.734 -2.725 1.00 0.00 C ATOM 363 CG GLU A 27 -10.083 -1.181 -2.550 1.00 0.00 C ATOM 364 CD GLU A 27 -11.030 -0.481 -3.506 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.554 0.042 -4.535 1.00 0.00 O ATOM 366 OE2 GLU A 27 -12.246 -0.457 -3.225 1.00 0.00 O ATOM 0 H GLU A 27 -6.522 -2.579 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.696 -1.505 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.076 -1.000 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.614 0.353 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.147 -2.258 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.398 -0.987 -1.525 1.00 0.00 H new ATOM 373 N TYR A 28 -7.328 0.604 -5.251 1.00 0.00 N ATOM 374 CA TYR A 28 -6.415 1.586 -5.824 1.00 0.00 C ATOM 375 C TYR A 28 -6.636 2.962 -5.204 1.00 0.00 C ATOM 376 O TYR A 28 -7.640 3.622 -5.472 1.00 0.00 O ATOM 377 CB TYR A 28 -6.602 1.662 -7.341 1.00 0.00 C ATOM 378 CG TYR A 28 -6.816 0.314 -7.993 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.737 -0.462 -8.399 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.096 -0.182 -8.203 1.00 0.00 C ATOM 381 CE1 TYR A 28 -5.928 -1.693 -8.996 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.296 -1.413 -8.798 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.209 -2.165 -9.193 1.00 0.00 C ATOM 384 OH TYR A 28 -7.404 -3.390 -9.787 1.00 0.00 O ATOM 0 H TYR A 28 -8.308 0.748 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.396 1.268 -5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.456 2.303 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.725 2.135 -7.783 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.732 -0.097 -8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.950 0.404 -7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.078 -2.283 -9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.298 -1.785 -8.953 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.365 -3.574 -9.850 1.00 0.00 H new ATOM 394 N ILE A 29 -5.689 3.388 -4.374 1.00 0.00 N ATOM 395 CA ILE A 29 -5.778 4.686 -3.717 1.00 0.00 C ATOM 396 C ILE A 29 -4.987 5.743 -4.479 1.00 0.00 C ATOM 397 O ILE A 29 -3.757 5.765 -4.434 1.00 0.00 O ATOM 398 CB ILE A 29 -5.261 4.619 -2.268 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.731 3.328 -1.594 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.730 5.835 -1.482 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.226 3.274 -1.369 1.00 0.00 C ATOM 0 H ILE A 29 -4.852 2.853 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.832 4.963 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.171 4.620 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.433 2.478 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.223 3.222 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.357 5.774 -0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.350 6.741 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.820 5.862 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.488 2.332 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.528 4.104 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.741 3.348 -2.327 1.00 0.00 H new ATOM 413 N ASP A 30 -5.701 6.619 -5.177 1.00 0.00 N ATOM 414 CA ASP A 30 -5.066 7.682 -5.948 1.00 0.00 C ATOM 415 C ASP A 30 -4.951 8.959 -5.120 1.00 0.00 C ATOM 416 O ASP A 30 -5.926 9.692 -4.953 1.00 0.00 O ATOM 417 CB ASP A 30 -5.859 7.959 -7.226 1.00 0.00 C ATOM 418 CG ASP A 30 -5.006 8.582 -8.313 1.00 0.00 C ATOM 419 OD1 ASP A 30 -4.638 9.768 -8.173 1.00 0.00 O ATOM 420 OD2 ASP A 30 -4.705 7.884 -9.304 1.00 0.00 O ATOM 0 H ASP A 30 -6.720 6.614 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.063 7.352 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.287 7.026 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.692 8.623 -6.996 1.00 0.00 H new ATOM 425 N ILE A 31 -3.754 9.217 -4.603 1.00 0.00 N ATOM 426 CA ILE A 31 -3.512 10.404 -3.793 1.00 0.00 C ATOM 427 C ILE A 31 -2.928 11.534 -4.634 1.00 0.00 C ATOM 428 O ILE A 31 -2.023 11.317 -5.440 1.00 0.00 O ATOM 429 CB ILE A 31 -2.555 10.102 -2.624 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.200 9.113 -1.651 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.175 11.389 -1.906 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.217 8.487 -0.687 1.00 0.00 C ATOM 0 H ILE A 31 -2.937 8.620 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.477 10.714 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.647 9.650 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.976 9.627 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.691 8.324 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.499 11.160 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.680 12.063 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.074 11.867 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.743 7.797 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.455 7.944 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.743 9.268 -0.092 1.00 0.00 H new ATOM 444 N GLU A 32 -3.452 12.740 -4.440 1.00 0.00 N ATOM 445 CA GLU A 32 -2.981 13.905 -5.181 1.00 0.00 C ATOM 446 C GLU A 32 -1.833 14.590 -4.445 1.00 0.00 C ATOM 447 O GLU A 32 -2.038 15.230 -3.413 1.00 0.00 O ATOM 448 CB GLU A 32 -4.127 14.896 -5.398 1.00 0.00 C ATOM 449 CG GLU A 32 -4.984 14.579 -6.611 1.00 0.00 C ATOM 450 CD GLU A 32 -6.035 13.524 -6.323 1.00 0.00 C ATOM 451 OE1 GLU A 32 -7.011 13.838 -5.610 1.00 0.00 O ATOM 452 OE2 GLU A 32 -5.881 12.385 -6.812 1.00 0.00 O ATOM 0 H GLU A 32 -4.202 12.936 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.616 13.565 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.759 14.908 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.713 15.898 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.474 15.491 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.344 14.236 -7.424 1.00 0.00 H new ATOM 459 N ARG A 33 -0.626 14.451 -4.983 1.00 0.00 N ATOM 460 CA ARG A 33 0.555 15.055 -4.378 1.00 0.00 C ATOM 461 C ARG A 33 0.448 16.577 -4.380 1.00 0.00 C ATOM 462 O ARG A 33 0.305 17.213 -5.424 1.00 0.00 O ATOM 463 CB ARG A 33 1.816 14.620 -5.126 1.00 0.00 C ATOM 464 CG ARG A 33 2.399 13.309 -4.626 1.00 0.00 C ATOM 465 CD ARG A 33 3.432 13.538 -3.534 1.00 0.00 C ATOM 466 NE ARG A 33 4.463 14.487 -3.947 1.00 0.00 N ATOM 467 CZ ARG A 33 5.209 15.179 -3.093 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.039 15.029 -1.786 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.127 16.023 -3.545 1.00 0.00 N ATOM 0 H ARG A 33 -0.440 13.925 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 33 0.618 14.714 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.584 14.524 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.570 15.402 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.598 12.676 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.859 12.774 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.936 13.909 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.898 12.588 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 33 4.619 14.626 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.334 14.381 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.613 15.562 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.261 16.141 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.699 16.554 -2.888 1.00 0.00 H new ATOM 483 N PRO A 34 0.519 17.177 -3.182 1.00 0.00 N ATOM 484 CA PRO A 34 0.433 18.631 -3.018 1.00 0.00 C ATOM 485 C PRO A 34 1.664 19.349 -3.560 1.00 0.00 C ATOM 486 O PRO A 34 2.535 18.732 -4.173 1.00 0.00 O ATOM 487 CB PRO A 34 0.332 18.812 -1.502 1.00 0.00 C ATOM 488 CG PRO A 34 0.981 17.598 -0.931 1.00 0.00 C ATOM 489 CD PRO A 34 0.689 16.481 -1.895 1.00 0.00 C ATOM 0 HA PRO A 34 -0.408 19.054 -3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.838 19.721 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.707 18.893 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.055 17.746 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.585 17.373 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.505 15.759 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.209 15.932 -1.613 1.00 0.00 H new ATOM 497 N SER A 35 1.731 20.657 -3.330 1.00 0.00 N ATOM 498 CA SER A 35 2.854 21.459 -3.798 1.00 0.00 C ATOM 499 C SER A 35 3.946 21.538 -2.734 1.00 0.00 C ATOM 500 O SER A 35 5.029 20.975 -2.896 1.00 0.00 O ATOM 501 CB SER A 35 2.384 22.867 -4.167 1.00 0.00 C ATOM 502 OG SER A 35 3.445 23.635 -4.708 1.00 0.00 O ATOM 0 H SER A 35 1.020 21.183 -2.822 1.00 0.00 H new ATOM 0 HA SER A 35 3.268 20.978 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.571 22.804 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.986 23.364 -3.282 1.00 0.00 H new ATOM 0 HG SER A 35 3.117 24.530 -4.937 1.00 0.00 H new ATOM 508 N THR A 36 3.653 22.242 -1.645 1.00 0.00 N ATOM 509 CA THR A 36 4.608 22.397 -0.555 1.00 0.00 C ATOM 510 C THR A 36 4.198 21.567 0.656 1.00 0.00 C ATOM 511 O THR A 36 4.639 21.825 1.775 1.00 0.00 O ATOM 512 CB THR A 36 4.742 23.871 -0.131 1.00 0.00 C ATOM 513 OG1 THR A 36 3.445 24.463 0.003 1.00 0.00 O ATOM 514 CG2 THR A 36 5.559 24.654 -1.148 1.00 0.00 C ATOM 0 H THR A 36 2.761 22.714 -1.495 1.00 0.00 H new ATOM 0 HA THR A 36 5.571 22.045 -0.925 1.00 0.00 H new ATOM 0 HB THR A 36 5.257 23.904 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.540 25.400 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.640 25.693 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.556 24.219 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.067 24.612 -2.120 1.00 0.00 H new ATOM 522 N GLY A 37 3.353 20.567 0.425 1.00 0.00 N ATOM 523 CA GLY A 37 2.899 19.714 1.507 1.00 0.00 C ATOM 524 C GLY A 37 3.460 18.309 1.413 1.00 0.00 C ATOM 525 O GLY A 37 4.668 18.124 1.273 1.00 0.00 O ATOM 0 H GLY A 37 2.975 20.333 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.191 20.155 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.810 19.668 1.497 1.00 0.00 H new ATOM 529 N GLY A 38 2.580 17.315 1.490 1.00 0.00 N ATOM 530 CA GLY A 38 3.014 15.933 1.412 1.00 0.00 C ATOM 531 C GLY A 38 1.851 14.960 1.400 1.00 0.00 C ATOM 532 O GLY A 38 0.689 15.369 1.422 1.00 0.00 O ATOM 0 H GLY A 38 1.575 17.443 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.610 15.793 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.661 15.710 2.260 1.00 0.00 H new ATOM 536 N LEU A 39 2.162 13.669 1.364 1.00 0.00 N ATOM 537 CA LEU A 39 1.134 12.634 1.347 1.00 0.00 C ATOM 538 C LEU A 39 0.188 12.788 2.534 1.00 0.00 C ATOM 539 O LEU A 39 -0.990 12.444 2.450 1.00 0.00 O ATOM 540 CB LEU A 39 1.778 11.247 1.370 1.00 0.00 C ATOM 541 CG LEU A 39 3.156 11.136 0.716 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.519 9.678 0.482 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.190 11.913 -0.591 1.00 0.00 C ATOM 0 H LEU A 39 3.118 13.314 1.346 1.00 0.00 H new ATOM 0 HA LEU A 39 0.557 12.744 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.864 10.925 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.105 10.548 0.874 1.00 0.00 H new ATOM 0 HG LEU A 39 3.894 11.569 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.503 9.618 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.536 9.150 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.779 9.219 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.178 11.823 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.441 11.510 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.975 12.964 -0.395 1.00 0.00 H new ATOM 555 N GLY A 40 0.712 13.309 3.639 1.00 0.00 N ATOM 556 CA GLY A 40 -0.100 13.502 4.826 1.00 0.00 C ATOM 557 C GLY A 40 -0.304 12.216 5.603 1.00 0.00 C ATOM 558 O GLY A 40 -0.992 12.202 6.624 1.00 0.00 O ATOM 0 H GLY A 40 1.685 13.601 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.375 14.241 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.070 13.907 4.537 1.00 0.00 H new ATOM 562 N PHE A 41 0.294 11.133 5.119 1.00 0.00 N ATOM 563 CA PHE A 41 0.172 9.835 5.774 1.00 0.00 C ATOM 564 C PHE A 41 1.532 9.152 5.885 1.00 0.00 C ATOM 565 O PHE A 41 2.326 9.171 4.944 1.00 0.00 O ATOM 566 CB PHE A 41 -0.800 8.940 5.003 1.00 0.00 C ATOM 567 CG PHE A 41 -0.163 8.217 3.850 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.547 7.046 4.058 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.275 8.709 2.560 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.135 6.379 2.999 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.310 8.046 1.497 1.00 0.00 C ATOM 572 CZ PHE A 41 1.015 6.879 1.717 1.00 0.00 C ATOM 0 H PHE A 41 0.868 11.128 4.276 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.216 9.998 6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.229 8.209 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.624 9.549 4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.642 6.650 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.826 9.621 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.688 5.468 3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.216 8.440 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.472 6.358 0.888 1.00 0.00 H new ATOM 582 N SER A 42 1.793 8.551 7.041 1.00 0.00 N ATOM 583 CA SER A 42 3.058 7.865 7.277 1.00 0.00 C ATOM 584 C SER A 42 2.907 6.361 7.072 1.00 0.00 C ATOM 585 O SER A 42 1.808 5.862 6.831 1.00 0.00 O ATOM 586 CB SER A 42 3.560 8.150 8.694 1.00 0.00 C ATOM 587 OG SER A 42 4.293 9.361 8.741 1.00 0.00 O ATOM 0 H SER A 42 1.146 8.525 7.829 1.00 0.00 H new ATOM 0 HA SER A 42 3.786 8.241 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.714 8.207 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.189 7.327 9.033 1.00 0.00 H new ATOM 0 HG SER A 42 4.601 9.521 9.657 1.00 0.00 H new ATOM 593 N VAL A 43 4.021 5.642 7.168 1.00 0.00 N ATOM 594 CA VAL A 43 4.015 4.194 6.994 1.00 0.00 C ATOM 595 C VAL A 43 4.937 3.516 8.000 1.00 0.00 C ATOM 596 O VAL A 43 5.568 4.177 8.825 1.00 0.00 O ATOM 597 CB VAL A 43 4.447 3.798 5.570 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.313 4.031 4.583 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.691 4.571 5.157 1.00 0.00 C ATOM 0 H VAL A 43 4.940 6.039 7.365 1.00 0.00 H new ATOM 0 HA VAL A 43 2.991 3.859 7.161 1.00 0.00 H new ATOM 0 HB VAL A 43 4.688 2.735 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.637 3.745 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.451 3.429 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.037 5.086 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.983 4.279 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.479 5.640 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.504 4.349 5.848 1.00 0.00 H new ATOM 609 N VAL A 44 5.011 2.190 7.927 1.00 0.00 N ATOM 610 CA VAL A 44 5.858 1.421 8.830 1.00 0.00 C ATOM 611 C VAL A 44 6.421 0.185 8.137 1.00 0.00 C ATOM 612 O VAL A 44 5.782 -0.390 7.257 1.00 0.00 O ATOM 613 CB VAL A 44 5.085 0.983 10.088 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.955 2.142 11.066 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.716 0.439 9.709 1.00 0.00 C ATOM 0 H VAL A 44 4.494 1.627 7.252 1.00 0.00 H new ATOM 0 HA VAL A 44 6.679 2.074 9.126 1.00 0.00 H new ATOM 0 HB VAL A 44 5.645 0.186 10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.406 1.814 11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.948 2.482 11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.418 2.962 10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.183 0.134 10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.146 1.213 9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.836 -0.421 9.050 1.00 0.00 H new ATOM 625 N ALA A 45 7.621 -0.219 8.542 1.00 0.00 N ATOM 626 CA ALA A 45 8.268 -1.389 7.962 1.00 0.00 C ATOM 627 C ALA A 45 8.194 -2.583 8.907 1.00 0.00 C ATOM 628 O ALA A 45 8.580 -2.490 10.073 1.00 0.00 O ATOM 629 CB ALA A 45 9.717 -1.074 7.619 1.00 0.00 C ATOM 0 H ALA A 45 8.164 0.247 9.269 1.00 0.00 H new ATOM 0 HA ALA A 45 7.737 -1.651 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.189 -1.956 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.751 -0.255 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.250 -0.784 8.524 1.00 0.00 H new ATOM 635 N LEU A 46 7.694 -3.704 8.398 1.00 0.00 N ATOM 636 CA LEU A 46 7.568 -4.917 9.197 1.00 0.00 C ATOM 637 C LEU A 46 7.849 -6.157 8.354 1.00 0.00 C ATOM 638 O LEU A 46 7.057 -6.521 7.485 1.00 0.00 O ATOM 639 CB LEU A 46 6.167 -5.008 9.806 1.00 0.00 C ATOM 640 CG LEU A 46 5.762 -3.860 10.731 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.270 -3.907 11.018 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.558 -3.914 12.027 1.00 0.00 C ATOM 0 H LEU A 46 7.369 -3.798 7.436 1.00 0.00 H new ATOM 0 HA LEU A 46 8.304 -4.871 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.443 -5.067 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.095 -5.941 10.365 1.00 0.00 H new ATOM 0 HG LEU A 46 5.985 -2.918 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.000 -3.082 11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.717 -3.819 10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.022 -4.853 11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.257 -3.090 12.674 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.366 -4.860 12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.622 -3.831 11.804 1.00 0.00 H new ATOM 654 N ARG A 47 8.981 -6.802 8.618 1.00 0.00 N ATOM 655 CA ARG A 47 9.366 -8.001 7.884 1.00 0.00 C ATOM 656 C ARG A 47 8.190 -8.966 7.764 1.00 0.00 C ATOM 657 O ARG A 47 7.692 -9.481 8.765 1.00 0.00 O ATOM 658 CB ARG A 47 10.540 -8.694 8.578 1.00 0.00 C ATOM 659 CG ARG A 47 11.338 -9.606 7.661 1.00 0.00 C ATOM 660 CD ARG A 47 10.520 -10.812 7.225 1.00 0.00 C ATOM 661 NE ARG A 47 11.365 -11.901 6.742 1.00 0.00 N ATOM 662 CZ ARG A 47 12.162 -12.617 7.527 1.00 0.00 C ATOM 663 NH1 ARG A 47 12.223 -12.360 8.826 1.00 0.00 N ATOM 664 NH2 ARG A 47 12.901 -13.591 7.012 1.00 0.00 N ATOM 0 H ARG A 47 9.647 -6.514 9.335 1.00 0.00 H new ATOM 0 HA ARG A 47 9.671 -7.701 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.205 -7.936 8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.162 -9.278 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.662 -9.048 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.239 -9.942 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.919 -11.164 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.827 -10.515 6.438 1.00 0.00 H new ATOM 0 HE ARG A 47 11.342 -12.124 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.657 -11.611 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.836 -12.911 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.857 -13.790 6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.513 -14.140 7.615 1.00 0.00 H new ATOM 678 N SER A 48 7.751 -9.205 6.532 1.00 0.00 N ATOM 679 CA SER A 48 6.631 -10.104 6.281 1.00 0.00 C ATOM 680 C SER A 48 6.958 -11.521 6.743 1.00 0.00 C ATOM 681 O SER A 48 8.107 -11.834 7.054 1.00 0.00 O ATOM 682 CB SER A 48 6.278 -10.110 4.792 1.00 0.00 C ATOM 683 OG SER A 48 4.894 -10.342 4.597 1.00 0.00 O ATOM 0 H SER A 48 8.154 -8.789 5.693 1.00 0.00 H new ATOM 0 HA SER A 48 5.773 -9.744 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.556 -9.156 4.345 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.855 -10.881 4.281 1.00 0.00 H new ATOM 0 HG SER A 48 4.694 -10.339 3.638 1.00 0.00 H new ATOM 689 N GLN A 49 5.939 -12.373 6.785 1.00 0.00 N ATOM 690 CA GLN A 49 6.117 -13.756 7.210 1.00 0.00 C ATOM 691 C GLN A 49 6.269 -14.680 6.006 1.00 0.00 C ATOM 692 O GLN A 49 6.176 -15.900 6.132 1.00 0.00 O ATOM 693 CB GLN A 49 4.931 -14.205 8.066 1.00 0.00 C ATOM 694 CG GLN A 49 3.601 -14.169 7.330 1.00 0.00 C ATOM 695 CD GLN A 49 2.626 -15.213 7.836 1.00 0.00 C ATOM 696 OE1 GLN A 49 3.028 -16.273 8.319 1.00 0.00 O ATOM 697 NE2 GLN A 49 1.335 -14.920 7.729 1.00 0.00 N ATOM 0 H GLN A 49 4.982 -12.130 6.530 1.00 0.00 H new ATOM 0 HA GLN A 49 7.028 -13.813 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.113 -15.219 8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.867 -13.566 8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.157 -13.180 7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.775 -14.325 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.046 -14.030 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.633 -15.585 8.053 1.00 0.00 H new ATOM 706 N ASN A 50 6.503 -14.089 4.839 1.00 0.00 N ATOM 707 CA ASN A 50 6.667 -14.859 3.612 1.00 0.00 C ATOM 708 C ASN A 50 8.120 -15.288 3.429 1.00 0.00 C ATOM 709 O ASN A 50 8.472 -16.445 3.664 1.00 0.00 O ATOM 710 CB ASN A 50 6.210 -14.038 2.404 1.00 0.00 C ATOM 711 CG ASN A 50 4.705 -14.067 2.221 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.967 -13.400 2.947 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.243 -14.843 1.248 1.00 0.00 N ATOM 0 H ASN A 50 6.583 -13.079 4.717 1.00 0.00 H new ATOM 0 HA ASN A 50 6.049 -15.754 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.539 -13.006 2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.690 -14.423 1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.239 -14.904 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.892 -15.378 0.671 1.00 0.00 H new ATOM 720 N LEU A 51 8.960 -14.348 3.008 1.00 0.00 N ATOM 721 CA LEU A 51 10.376 -14.627 2.794 1.00 0.00 C ATOM 722 C LEU A 51 11.123 -13.364 2.380 1.00 0.00 C ATOM 723 O LEU A 51 10.678 -12.627 1.502 1.00 0.00 O ATOM 724 CB LEU A 51 10.547 -15.708 1.726 1.00 0.00 C ATOM 725 CG LEU A 51 10.688 -15.213 0.286 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.535 -14.290 -0.077 1.00 0.00 C ATOM 727 CD2 LEU A 51 12.021 -14.503 0.095 1.00 0.00 C ATOM 0 H LEU A 51 8.685 -13.386 2.808 1.00 0.00 H new ATOM 0 HA LEU A 51 10.797 -14.984 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.429 -16.299 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.689 -16.379 1.776 1.00 0.00 H new ATOM 0 HG LEU A 51 10.659 -16.076 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.653 -13.948 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.593 -14.829 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.532 -13.430 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.105 -14.157 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.078 -13.649 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.836 -15.194 0.313 1.00 0.00 H new ATOM 739 N GLY A 52 12.265 -13.122 3.018 1.00 0.00 N ATOM 740 CA GLY A 52 13.057 -11.948 2.700 1.00 0.00 C ATOM 741 C GLY A 52 12.231 -10.844 2.071 1.00 0.00 C ATOM 742 O GLY A 52 12.408 -10.518 0.897 1.00 0.00 O ATOM 0 H GLY A 52 12.655 -13.718 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.526 -11.573 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.860 -12.229 2.019 1.00 0.00 H new ATOM 746 N LYS A 53 11.325 -10.267 2.852 1.00 0.00 N ATOM 747 CA LYS A 53 10.467 -9.192 2.366 1.00 0.00 C ATOM 748 C LYS A 53 9.835 -8.432 3.527 1.00 0.00 C ATOM 749 O LYS A 53 9.589 -8.998 4.592 1.00 0.00 O ATOM 750 CB LYS A 53 9.373 -9.757 1.457 1.00 0.00 C ATOM 751 CG LYS A 53 8.243 -10.433 2.213 1.00 0.00 C ATOM 752 CD LYS A 53 7.026 -10.643 1.328 1.00 0.00 C ATOM 753 CE LYS A 53 6.521 -9.327 0.754 1.00 0.00 C ATOM 754 NZ LYS A 53 5.052 -9.356 0.512 1.00 0.00 N ATOM 0 H LYS A 53 11.165 -10.526 3.826 1.00 0.00 H new ATOM 0 HA LYS A 53 11.084 -8.499 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.962 -8.949 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.819 -10.475 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.585 -11.394 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.967 -9.826 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.279 -11.323 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.233 -11.118 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.760 -8.515 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.039 -9.116 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.770 -8.506 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.808 -10.203 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.551 -9.379 1.423 1.00 0.00 H new ATOM 768 N VAL A 54 9.574 -7.146 3.315 1.00 0.00 N ATOM 769 CA VAL A 54 8.969 -6.309 4.343 1.00 0.00 C ATOM 770 C VAL A 54 7.582 -5.837 3.921 1.00 0.00 C ATOM 771 O VAL A 54 7.292 -5.714 2.731 1.00 0.00 O ATOM 772 CB VAL A 54 9.844 -5.080 4.654 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.297 -4.325 5.856 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.287 -5.501 4.890 1.00 0.00 C ATOM 0 H VAL A 54 9.772 -6.661 2.440 1.00 0.00 H new ATOM 0 HA VAL A 54 8.884 -6.922 5.240 1.00 0.00 H new ATOM 0 HB VAL A 54 9.820 -4.411 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.928 -3.460 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.281 -3.991 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.289 -4.982 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.892 -4.621 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.332 -6.190 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.673 -5.994 3.998 1.00 0.00 H new ATOM 784 N ASP A 55 6.728 -5.574 4.904 1.00 0.00 N ATOM 785 CA ASP A 55 5.371 -5.113 4.636 1.00 0.00 C ATOM 786 C ASP A 55 5.200 -3.655 5.048 1.00 0.00 C ATOM 787 O ASP A 55 5.465 -3.288 6.193 1.00 0.00 O ATOM 788 CB ASP A 55 4.357 -5.987 5.376 1.00 0.00 C ATOM 789 CG ASP A 55 4.133 -7.321 4.691 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.784 -7.573 3.655 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.307 -8.113 5.190 1.00 0.00 O ATOM 0 H ASP A 55 6.952 -5.672 5.894 1.00 0.00 H new ATOM 0 HA ASP A 55 5.193 -5.192 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.705 -6.159 6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.408 -5.455 5.449 1.00 0.00 H new ATOM 796 N ILE A 56 4.757 -2.827 4.107 1.00 0.00 N ATOM 797 CA ILE A 56 4.551 -1.409 4.373 1.00 0.00 C ATOM 798 C ILE A 56 3.086 -1.114 4.679 1.00 0.00 C ATOM 799 O ILE A 56 2.225 -1.217 3.805 1.00 0.00 O ATOM 800 CB ILE A 56 5.000 -0.542 3.182 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.388 -0.973 2.704 1.00 0.00 C ATOM 802 CG2 ILE A 56 5.000 0.929 3.569 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.475 -0.762 3.734 1.00 0.00 C ATOM 0 H ILE A 56 4.534 -3.114 3.154 1.00 0.00 H new ATOM 0 HA ILE A 56 5.159 -1.159 5.243 1.00 0.00 H new ATOM 0 HB ILE A 56 4.295 -0.682 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.358 -2.028 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.641 -0.417 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.320 1.529 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.995 1.227 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.686 1.086 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.431 -1.090 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.533 0.296 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.245 -1.340 4.629 1.00 0.00 H new ATOM 815 N PHE A 57 2.811 -0.745 5.926 1.00 0.00 N ATOM 816 CA PHE A 57 1.450 -0.433 6.347 1.00 0.00 C ATOM 817 C PHE A 57 1.278 1.067 6.564 1.00 0.00 C ATOM 818 O PHE A 57 2.216 1.761 6.954 1.00 0.00 O ATOM 819 CB PHE A 57 1.107 -1.188 7.633 1.00 0.00 C ATOM 820 CG PHE A 57 1.311 -2.673 7.530 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.568 -3.227 7.710 1.00 0.00 C ATOM 822 CD2 PHE A 57 0.246 -3.514 7.251 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.760 -4.592 7.616 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.431 -4.880 7.156 1.00 0.00 C ATOM 825 CZ PHE A 57 1.690 -5.420 7.338 1.00 0.00 C ATOM 0 H PHE A 57 3.512 -0.655 6.662 1.00 0.00 H new ATOM 0 HA PHE A 57 0.770 -0.748 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.720 -0.801 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.068 -0.990 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.408 -2.584 7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.740 -3.097 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.745 -5.011 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.408 -5.525 6.940 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.837 -6.487 7.263 1.00 0.00 H new ATOM 835 N VAL A 58 0.071 1.561 6.306 1.00 0.00 N ATOM 836 CA VAL A 58 -0.226 2.979 6.473 1.00 0.00 C ATOM 837 C VAL A 58 -0.491 3.317 7.936 1.00 0.00 C ATOM 838 O VAL A 58 -1.425 2.795 8.546 1.00 0.00 O ATOM 839 CB VAL A 58 -1.446 3.400 5.631 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.695 4.895 5.762 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.247 3.010 4.175 1.00 0.00 C ATOM 0 H VAL A 58 -0.717 1.000 5.981 1.00 0.00 H new ATOM 0 HA VAL A 58 0.651 3.528 6.129 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.324 2.876 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.560 5.174 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.884 5.142 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.819 5.442 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.118 3.315 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.359 3.506 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.122 1.930 4.102 1.00 0.00 H new ATOM 851 N LYS A 59 0.336 4.194 8.494 1.00 0.00 N ATOM 852 CA LYS A 59 0.191 4.604 9.886 1.00 0.00 C ATOM 853 C LYS A 59 0.098 6.123 9.998 1.00 0.00 C ATOM 854 O LYS A 59 0.683 6.851 9.196 1.00 0.00 O ATOM 855 CB LYS A 59 1.371 4.092 10.715 1.00 0.00 C ATOM 856 CG LYS A 59 1.536 2.583 10.671 1.00 0.00 C ATOM 857 CD LYS A 59 0.767 1.904 11.792 1.00 0.00 C ATOM 858 CE LYS A 59 1.427 2.138 13.142 1.00 0.00 C ATOM 859 NZ LYS A 59 0.437 2.119 14.254 1.00 0.00 N ATOM 0 H LYS A 59 1.114 4.635 8.004 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.732 4.171 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.287 4.560 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.239 4.405 11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.187 2.206 9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.593 2.329 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.255 2.283 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.706 0.833 11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.182 1.371 13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.944 3.098 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.926 2.282 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.269 2.867 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.038 1.194 14.280 1.00 0.00 H new ATOM 873 N ASP A 60 -0.638 6.593 10.999 1.00 0.00 N ATOM 874 CA ASP A 60 -0.805 8.025 11.218 1.00 0.00 C ATOM 875 C ASP A 60 -1.511 8.677 10.033 1.00 0.00 C ATOM 876 O ASP A 60 -1.013 9.644 9.456 1.00 0.00 O ATOM 877 CB ASP A 60 0.553 8.689 11.447 1.00 0.00 C ATOM 878 CG ASP A 60 0.955 8.696 12.909 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.587 9.654 13.620 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.638 7.744 13.341 1.00 0.00 O ATOM 0 H ASP A 60 -1.128 6.003 11.672 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.422 8.163 12.106 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.313 8.165 10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.520 9.714 11.077 1.00 0.00 H new ATOM 885 N VAL A 61 -2.673 8.141 9.674 1.00 0.00 N ATOM 886 CA VAL A 61 -3.447 8.670 8.558 1.00 0.00 C ATOM 887 C VAL A 61 -4.137 9.976 8.938 1.00 0.00 C ATOM 888 O VAL A 61 -5.165 9.972 9.614 1.00 0.00 O ATOM 889 CB VAL A 61 -4.509 7.661 8.083 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.331 8.247 6.945 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.852 6.356 7.660 1.00 0.00 C ATOM 0 H VAL A 61 -3.099 7.340 10.140 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.744 8.856 7.746 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.182 7.450 8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.076 7.520 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.832 9.153 7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.675 8.489 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.617 5.655 7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.155 6.547 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.312 5.930 8.505 1.00 0.00 H new ATOM 901 N GLN A 62 -3.564 11.092 8.498 1.00 0.00 N ATOM 902 CA GLN A 62 -4.124 12.405 8.793 1.00 0.00 C ATOM 903 C GLN A 62 -5.563 12.507 8.297 1.00 0.00 C ATOM 904 O GLN A 62 -5.836 12.473 7.097 1.00 0.00 O ATOM 905 CB GLN A 62 -3.272 13.502 8.150 1.00 0.00 C ATOM 906 CG GLN A 62 -2.035 13.861 8.957 1.00 0.00 C ATOM 907 CD GLN A 62 -2.336 14.818 10.093 1.00 0.00 C ATOM 908 OE1 GLN A 62 -2.643 14.397 11.209 1.00 0.00 O ATOM 909 NE2 GLN A 62 -2.251 16.114 9.816 1.00 0.00 N ATOM 0 H GLN A 62 -2.713 11.113 7.936 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.121 12.539 9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.966 13.177 7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.883 14.395 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.593 12.950 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.293 14.309 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.993 16.419 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.444 16.804 10.542 1.00 0.00 H new ATOM 918 N PRO A 63 -6.506 12.634 9.242 1.00 0.00 N ATOM 919 CA PRO A 63 -7.934 12.744 8.925 1.00 0.00 C ATOM 920 C PRO A 63 -8.280 14.072 8.261 1.00 0.00 C ATOM 921 O PRO A 63 -9.438 14.333 7.939 1.00 0.00 O ATOM 922 CB PRO A 63 -8.610 12.638 10.294 1.00 0.00 C ATOM 923 CG PRO A 63 -7.578 13.104 11.263 1.00 0.00 C ATOM 924 CD PRO A 63 -6.253 12.682 10.692 1.00 0.00 C ATOM 0 HA PRO A 63 -8.254 11.981 8.216 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.506 13.257 10.342 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.918 11.614 10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.622 14.186 11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.738 12.662 12.246 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.464 13.393 10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.940 11.712 11.078 1.00 0.00 H new ATOM 932 N GLY A 64 -7.267 14.909 8.059 1.00 0.00 N ATOM 933 CA GLY A 64 -7.485 16.200 7.433 1.00 0.00 C ATOM 934 C GLY A 64 -6.631 16.398 6.197 1.00 0.00 C ATOM 935 O GLY A 64 -7.101 16.919 5.186 1.00 0.00 O ATOM 0 H GLY A 64 -6.299 14.716 8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.537 16.296 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.267 16.990 8.152 1.00 0.00 H new ATOM 939 N SER A 65 -5.371 15.983 6.278 1.00 0.00 N ATOM 940 CA SER A 65 -4.446 16.122 5.159 1.00 0.00 C ATOM 941 C SER A 65 -5.063 15.577 3.874 1.00 0.00 C ATOM 942 O SER A 65 -6.202 15.110 3.868 1.00 0.00 O ATOM 943 CB SER A 65 -3.136 15.392 5.459 1.00 0.00 C ATOM 944 OG SER A 65 -2.565 15.846 6.674 1.00 0.00 O ATOM 0 H SER A 65 -4.967 15.548 7.107 1.00 0.00 H new ATOM 0 HA SER A 65 -4.238 17.183 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.319 14.319 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.433 15.550 4.642 1.00 0.00 H new ATOM 0 HG SER A 65 -1.589 15.765 6.627 1.00 0.00 H new ATOM 950 N VAL A 66 -4.302 15.641 2.786 1.00 0.00 N ATOM 951 CA VAL A 66 -4.771 15.154 1.495 1.00 0.00 C ATOM 952 C VAL A 66 -5.167 13.684 1.573 1.00 0.00 C ATOM 953 O VAL A 66 -6.157 13.264 0.975 1.00 0.00 O ATOM 954 CB VAL A 66 -3.697 15.328 0.405 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.395 14.664 0.827 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.187 14.765 -0.921 1.00 0.00 C ATOM 0 H VAL A 66 -3.357 16.026 2.773 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.645 15.749 1.231 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.508 16.393 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.648 14.797 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.038 15.119 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.565 13.600 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.415 14.897 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.406 13.703 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.091 15.291 -1.228 1.00 0.00 H new ATOM 966 N ALA A 67 -4.386 12.905 2.315 1.00 0.00 N ATOM 967 CA ALA A 67 -4.656 11.482 2.474 1.00 0.00 C ATOM 968 C ALA A 67 -6.113 11.238 2.852 1.00 0.00 C ATOM 969 O ALA A 67 -6.749 10.313 2.347 1.00 0.00 O ATOM 970 CB ALA A 67 -3.729 10.882 3.521 1.00 0.00 C ATOM 0 H ALA A 67 -3.561 13.236 2.815 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.470 10.994 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.942 9.819 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.693 11.015 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.887 11.383 4.476 1.00 0.00 H new ATOM 976 N ASP A 68 -6.635 12.073 3.744 1.00 0.00 N ATOM 977 CA ASP A 68 -8.018 11.948 4.190 1.00 0.00 C ATOM 978 C ASP A 68 -8.983 12.399 3.098 1.00 0.00 C ATOM 979 O ASP A 68 -9.642 11.578 2.460 1.00 0.00 O ATOM 980 CB ASP A 68 -8.243 12.771 5.459 1.00 0.00 C ATOM 981 CG ASP A 68 -9.705 13.105 5.681 1.00 0.00 C ATOM 982 OD1 ASP A 68 -10.481 12.183 6.009 1.00 0.00 O ATOM 983 OD2 ASP A 68 -10.072 14.288 5.528 1.00 0.00 O ATOM 0 H ASP A 68 -6.122 12.843 4.172 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.210 10.898 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.865 12.218 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.668 13.695 5.396 1.00 0.00 H new ATOM 988 N ARG A 69 -9.063 13.710 2.890 1.00 0.00 N ATOM 989 CA ARG A 69 -9.950 14.270 1.878 1.00 0.00 C ATOM 990 C ARG A 69 -9.899 13.446 0.595 1.00 0.00 C ATOM 991 O ARG A 69 -10.857 13.424 -0.179 1.00 0.00 O ATOM 992 CB ARG A 69 -9.567 15.721 1.581 1.00 0.00 C ATOM 993 CG ARG A 69 -8.107 15.900 1.200 1.00 0.00 C ATOM 994 CD ARG A 69 -7.618 17.306 1.509 1.00 0.00 C ATOM 995 NE ARG A 69 -6.572 17.738 0.586 1.00 0.00 N ATOM 996 CZ ARG A 69 -6.087 18.974 0.551 1.00 0.00 C ATOM 997 NH1 ARG A 69 -6.552 19.896 1.383 1.00 0.00 N ATOM 998 NH2 ARG A 69 -5.136 19.290 -0.318 1.00 0.00 N ATOM 0 H ARG A 69 -8.524 14.403 3.409 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.968 14.242 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.193 16.095 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.782 16.331 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.498 15.175 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.980 15.695 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.456 18.001 1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.238 17.341 2.530 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.193 17.053 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.284 19.657 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.178 20.844 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.777 18.584 -0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.764 20.239 -0.344 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.776 12.771 0.375 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.600 11.946 -0.814 1.00 0.00 C ATOM 1014 C ASP A 70 -9.722 10.918 -0.933 1.00 0.00 C ATOM 1015 O ASP A 70 -10.500 10.725 0.001 1.00 0.00 O ATOM 1016 CB ASP A 70 -7.245 11.238 -0.774 1.00 0.00 C ATOM 1017 CG ASP A 70 -7.087 10.225 -1.891 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -7.278 10.604 -3.066 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.773 9.055 -1.591 1.00 0.00 O ATOM 0 H ASP A 70 -7.974 12.779 1.005 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.635 12.598 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.449 11.979 -0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.129 10.736 0.187 1.00 0.00 H new ATOM 1024 N GLN A 71 -9.798 10.263 -2.087 1.00 0.00 N ATOM 1025 CA GLN A 71 -10.825 9.257 -2.327 1.00 0.00 C ATOM 1026 C GLN A 71 -11.143 8.488 -1.050 1.00 0.00 C ATOM 1027 O GLN A 71 -12.220 8.642 -0.472 1.00 0.00 O ATOM 1028 CB GLN A 71 -10.373 8.288 -3.421 1.00 0.00 C ATOM 1029 CG GLN A 71 -11.524 7.637 -4.171 1.00 0.00 C ATOM 1030 CD GLN A 71 -11.055 6.772 -5.324 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -9.921 6.293 -5.335 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -11.928 6.567 -6.304 1.00 0.00 N ATOM 0 H GLN A 71 -9.161 10.411 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.730 9.769 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.744 8.824 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.756 7.509 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.106 7.028 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.190 8.412 -4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.858 6.983 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.669 5.993 -7.106 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.201 7.659 -0.613 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.382 6.864 0.596 1.00 0.00 C ATOM 1043 C ARG A 72 -9.106 6.101 0.941 1.00 0.00 C ATOM 1044 O ARG A 72 -8.496 5.467 0.079 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.543 5.884 0.418 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.271 4.798 -0.610 1.00 0.00 C ATOM 1047 CD ARG A 72 -10.644 3.569 0.031 1.00 0.00 C ATOM 1048 NE ARG A 72 -11.631 2.759 0.741 1.00 0.00 N ATOM 1049 CZ ARG A 72 -12.539 2.005 0.131 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -12.585 1.958 -1.193 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -13.403 1.296 0.846 1.00 0.00 N ATOM 0 H ARG A 72 -9.304 7.520 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.612 7.543 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.763 5.417 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.433 6.439 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.203 4.518 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.607 5.185 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.164 2.964 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.863 3.880 0.725 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.623 2.773 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.922 2.502 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.283 1.378 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.370 1.330 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.100 0.717 0.377 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.708 6.167 2.206 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.504 5.483 2.666 1.00 0.00 C ATOM 1067 C LEU A 73 -7.606 5.139 4.149 1.00 0.00 C ATOM 1068 O LEU A 73 -7.757 6.022 4.993 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.272 6.355 2.417 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.964 5.608 2.154 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.929 6.542 1.545 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.435 4.988 3.439 1.00 0.00 C ATOM 0 H LEU A 73 -9.201 6.687 2.932 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.405 4.555 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.476 7.002 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.130 7.003 3.282 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.163 4.806 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.005 5.993 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.306 6.937 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.734 7.366 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.504 4.461 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.252 5.773 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.170 4.286 3.834 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.521 3.850 4.459 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.600 3.388 5.839 1.00 0.00 C ATOM 1086 C LYS A 74 -6.208 3.116 6.403 1.00 0.00 C ATOM 1087 O LYS A 74 -5.233 3.034 5.657 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.453 2.120 5.926 1.00 0.00 C ATOM 1089 CG LYS A 74 -9.816 2.258 5.271 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.850 2.797 6.245 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.546 1.673 6.997 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.635 2.185 7.876 1.00 0.00 N ATOM 0 H LYS A 74 -7.397 3.106 3.772 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.066 4.174 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.915 1.297 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.588 1.854 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.742 2.924 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.140 1.288 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.367 3.467 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.590 3.386 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.960 0.960 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.816 1.133 7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.085 1.389 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.237 2.846 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.345 2.678 7.298 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.126 2.977 7.722 1.00 0.00 N ATOM 1107 CA GLU A 75 -4.853 2.714 8.384 1.00 0.00 C ATOM 1108 C GLU A 75 -4.475 1.240 8.271 1.00 0.00 C ATOM 1109 O GLU A 75 -5.259 0.423 7.789 1.00 0.00 O ATOM 1110 CB GLU A 75 -4.925 3.122 9.857 1.00 0.00 C ATOM 1111 CG GLU A 75 -3.582 3.520 10.444 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.720 4.353 11.704 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.507 5.322 11.693 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.040 4.034 12.703 1.00 0.00 O ATOM 0 H GLU A 75 -6.925 3.042 8.353 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.085 3.307 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.619 3.956 9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.334 2.293 10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.007 2.622 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.017 4.083 9.701 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.269 0.909 8.718 1.00 0.00 N ATOM 1122 CA ASN A 76 -2.785 -0.466 8.666 1.00 0.00 C ATOM 1123 C ASN A 76 -2.993 -1.064 7.278 1.00 0.00 C ATOM 1124 O ASN A 76 -3.173 -2.273 7.132 1.00 0.00 O ATOM 1125 CB ASN A 76 -3.502 -1.321 9.714 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.280 -0.812 11.125 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -4.208 -0.336 11.779 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -2.044 -0.912 11.601 1.00 0.00 N ATOM 0 H ASN A 76 -2.608 1.574 9.120 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.717 -0.457 8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.571 -1.334 9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.150 -2.350 9.642 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.833 -0.587 12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.306 -1.314 11.023 1.00 0.00 H new ATOM 1135 N ASP A 77 -2.966 -0.209 6.262 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.149 -0.652 4.884 1.00 0.00 C ATOM 1137 C ASP A 77 -1.821 -1.089 4.273 1.00 0.00 C ATOM 1138 O ASP A 77 -0.951 -0.262 4.001 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.768 0.467 4.045 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.283 0.445 4.078 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.848 -0.157 5.016 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -5.905 1.031 3.168 1.00 0.00 O ATOM 0 H ASP A 77 -2.819 0.795 6.366 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.824 -1.508 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.414 1.430 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.429 0.374 3.013 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.674 -2.392 4.060 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.452 -2.938 3.483 1.00 0.00 C ATOM 1149 C GLN A 78 -0.358 -2.610 1.996 1.00 0.00 C ATOM 1150 O GLN A 78 -1.069 -3.193 1.176 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.399 -4.453 3.687 1.00 0.00 C ATOM 1152 CG GLN A 78 0.994 -5.041 3.524 1.00 0.00 C ATOM 1153 CD GLN A 78 0.967 -6.502 3.121 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.073 -7.251 3.516 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.951 -6.916 2.330 1.00 0.00 N ATOM 0 H GLN A 78 -2.386 -3.089 4.278 1.00 0.00 H new ATOM 0 HA GLN A 78 0.396 -2.480 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.770 -4.690 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.072 -4.931 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.539 -4.471 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.540 -4.937 4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.671 -6.261 2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.986 -7.889 2.026 1.00 0.00 H new ATOM 1164 N ILE A 79 0.521 -1.674 1.656 1.00 0.00 N ATOM 1165 CA ILE A 79 0.707 -1.270 0.268 1.00 0.00 C ATOM 1166 C ILE A 79 1.398 -2.366 -0.536 1.00 0.00 C ATOM 1167 O ILE A 79 2.583 -2.641 -0.341 1.00 0.00 O ATOM 1168 CB ILE A 79 1.534 0.025 0.165 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.924 1.117 1.047 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.614 0.489 -1.282 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.628 2.451 0.931 1.00 0.00 C ATOM 0 H ILE A 79 1.116 -1.181 2.322 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.286 -1.092 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 79 2.545 -0.178 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.125 1.245 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.951 0.790 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.202 1.405 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.089 -0.284 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.609 0.679 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.142 3.177 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.671 2.339 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.579 2.800 -0.100 1.00 0.00 H new ATOM 1183 N LEU A 80 0.651 -2.987 -1.442 1.00 0.00 N ATOM 1184 CA LEU A 80 1.192 -4.053 -2.278 1.00 0.00 C ATOM 1185 C LEU A 80 2.125 -3.488 -3.345 1.00 0.00 C ATOM 1186 O LEU A 80 3.226 -3.997 -3.554 1.00 0.00 O ATOM 1187 CB LEU A 80 0.056 -4.835 -2.940 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.974 -5.453 -1.994 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.994 -6.268 -2.773 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.286 -6.317 -0.947 1.00 0.00 C ATOM 0 H LEU A 80 -0.330 -2.771 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 80 1.765 -4.726 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.465 -4.168 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.493 -5.633 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.499 -4.646 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.719 -6.700 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.510 -5.622 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.486 -7.067 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.034 -6.749 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.265 -7.117 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.405 -5.705 -0.367 1.00 0.00 H new ATOM 1202 N ALA A 81 1.676 -2.432 -4.016 1.00 0.00 N ATOM 1203 CA ALA A 81 2.472 -1.795 -5.058 1.00 0.00 C ATOM 1204 C ALA A 81 2.333 -0.278 -5.005 1.00 0.00 C ATOM 1205 O ALA A 81 1.322 0.246 -4.534 1.00 0.00 O ATOM 1206 CB ALA A 81 2.063 -2.317 -6.428 1.00 0.00 C ATOM 0 H ALA A 81 0.766 -2.000 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 81 3.519 -2.044 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.665 -1.833 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.221 -3.395 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.009 -2.098 -6.601 1.00 0.00 H new ATOM 1212 N ILE A 82 3.353 0.423 -5.489 1.00 0.00 N ATOM 1213 CA ILE A 82 3.343 1.880 -5.497 1.00 0.00 C ATOM 1214 C ILE A 82 3.698 2.426 -6.876 1.00 0.00 C ATOM 1215 O ILE A 82 4.852 2.371 -7.297 1.00 0.00 O ATOM 1216 CB ILE A 82 4.326 2.455 -4.461 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.908 2.048 -3.046 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.398 3.970 -4.582 1.00 0.00 C ATOM 1219 CD1 ILE A 82 4.959 2.338 -1.998 1.00 0.00 C ATOM 0 H ILE A 82 4.197 0.005 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 82 2.331 2.189 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 82 5.317 2.046 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.989 2.572 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.681 0.982 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.097 4.361 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.739 4.239 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.410 4.396 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.594 2.024 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.872 1.792 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.170 3.407 -1.980 1.00 0.00 H new ATOM 1231 N ASN A 83 2.697 2.953 -7.573 1.00 0.00 N ATOM 1232 CA ASN A 83 2.904 3.510 -8.905 1.00 0.00 C ATOM 1233 C ASN A 83 3.369 2.432 -9.880 1.00 0.00 C ATOM 1234 O ASN A 83 4.404 2.573 -10.531 1.00 0.00 O ATOM 1235 CB ASN A 83 3.931 4.643 -8.853 1.00 0.00 C ATOM 1236 CG ASN A 83 3.288 5.994 -8.605 1.00 0.00 C ATOM 1237 OD1 ASN A 83 3.470 6.932 -9.381 1.00 0.00 O ATOM 1238 ND2 ASN A 83 2.533 6.099 -7.518 1.00 0.00 N ATOM 0 H ASN A 83 1.735 3.006 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 83 1.952 3.907 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.655 4.438 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.483 4.673 -9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.076 6.984 -7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.410 5.295 -6.903 1.00 0.00 H new ATOM 1245 N HIS A 84 2.596 1.354 -9.974 1.00 0.00 N ATOM 1246 CA HIS A 84 2.928 0.252 -10.870 1.00 0.00 C ATOM 1247 C HIS A 84 4.275 -0.361 -10.502 1.00 0.00 C ATOM 1248 O HIS A 84 5.135 -0.561 -11.361 1.00 0.00 O ATOM 1249 CB HIS A 84 2.954 0.736 -12.320 1.00 0.00 C ATOM 1250 CG HIS A 84 2.954 -0.377 -13.323 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.589 -0.289 -14.544 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.394 -1.608 -13.280 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.418 -1.418 -15.209 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.696 -2.235 -14.463 1.00 0.00 N ATOM 0 H HIS A 84 1.737 1.221 -9.441 1.00 0.00 H new ATOM 0 HA HIS A 84 2.159 -0.514 -10.764 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.088 1.374 -12.497 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.840 1.352 -12.473 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.817 -2.021 -12.466 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.803 -1.636 -16.194 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.410 -3.179 -14.724 1.00 0.00 H new ATOM 1263 N THR A 85 4.454 -0.657 -9.218 1.00 0.00 N ATOM 1264 CA THR A 85 5.698 -1.245 -8.736 1.00 0.00 C ATOM 1265 C THR A 85 5.491 -1.948 -7.399 1.00 0.00 C ATOM 1266 O THR A 85 5.360 -1.314 -6.351 1.00 0.00 O ATOM 1267 CB THR A 85 6.799 -0.180 -8.578 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.288 0.213 -9.865 1.00 0.00 O ATOM 1269 CG2 THR A 85 7.948 -0.710 -7.733 1.00 0.00 C ATOM 0 H THR A 85 3.753 -0.499 -8.494 1.00 0.00 H new ATOM 0 HA THR A 85 6.013 -1.974 -9.482 1.00 0.00 H new ATOM 0 HB THR A 85 6.368 0.685 -8.074 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.655 -0.072 -10.557 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.713 0.060 -7.636 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.578 -0.981 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.377 -1.589 -8.213 1.00 0.00 H new ATOM 1277 N PRO A 86 5.461 -3.288 -7.432 1.00 0.00 N ATOM 1278 CA PRO A 86 5.272 -4.106 -6.230 1.00 0.00 C ATOM 1279 C PRO A 86 6.480 -4.059 -5.301 1.00 0.00 C ATOM 1280 O PRO A 86 7.625 -4.032 -5.754 1.00 0.00 O ATOM 1281 CB PRO A 86 5.082 -5.519 -6.789 1.00 0.00 C ATOM 1282 CG PRO A 86 5.779 -5.502 -8.106 1.00 0.00 C ATOM 1283 CD PRO A 86 5.610 -4.109 -8.646 1.00 0.00 C ATOM 0 HA PRO A 86 4.435 -3.755 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.510 -6.269 -6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.025 -5.761 -6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.834 -5.751 -7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.349 -6.238 -8.785 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.472 -3.800 -9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.736 -4.032 -9.293 1.00 0.00 H new ATOM 1291 N LEU A 87 6.218 -4.048 -3.998 1.00 0.00 N ATOM 1292 CA LEU A 87 7.284 -4.005 -3.004 1.00 0.00 C ATOM 1293 C LEU A 87 7.640 -5.408 -2.525 1.00 0.00 C ATOM 1294 O LEU A 87 8.030 -5.602 -1.374 1.00 0.00 O ATOM 1295 CB LEU A 87 6.864 -3.139 -1.815 1.00 0.00 C ATOM 1296 CG LEU A 87 5.925 -1.974 -2.131 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.571 -1.215 -0.862 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.557 -1.042 -3.154 1.00 0.00 C ATOM 0 H LEU A 87 5.277 -4.068 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 87 8.166 -3.567 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.380 -3.780 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.763 -2.738 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 87 5.006 -2.378 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.902 -0.390 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.076 -1.888 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.480 -0.823 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.875 -0.219 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.491 -0.645 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.758 -1.593 -4.073 1.00 0.00 H new ATOM 1310 N ASP A 88 7.504 -6.384 -3.416 1.00 0.00 N ATOM 1311 CA ASP A 88 7.815 -7.770 -3.086 1.00 0.00 C ATOM 1312 C ASP A 88 9.243 -7.898 -2.565 1.00 0.00 C ATOM 1313 O ASP A 88 9.988 -6.920 -2.525 1.00 0.00 O ATOM 1314 CB ASP A 88 7.624 -8.664 -4.312 1.00 0.00 C ATOM 1315 CG ASP A 88 8.259 -8.080 -5.559 1.00 0.00 C ATOM 1316 OD1 ASP A 88 9.059 -7.130 -5.428 1.00 0.00 O ATOM 1317 OD2 ASP A 88 7.958 -8.575 -6.665 1.00 0.00 O ATOM 0 H ASP A 88 7.180 -6.241 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 88 7.131 -8.092 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.056 -9.645 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.559 -8.814 -4.486 1.00 0.00 H new ATOM 1322 N GLN A 89 9.616 -9.110 -2.167 1.00 0.00 N ATOM 1323 CA GLN A 89 10.954 -9.364 -1.647 1.00 0.00 C ATOM 1324 C GLN A 89 11.989 -8.504 -2.364 1.00 0.00 C ATOM 1325 O GLN A 89 12.967 -8.062 -1.762 1.00 0.00 O ATOM 1326 CB GLN A 89 11.310 -10.844 -1.798 1.00 0.00 C ATOM 1327 CG GLN A 89 11.544 -11.270 -3.239 1.00 0.00 C ATOM 1328 CD GLN A 89 11.802 -12.757 -3.373 1.00 0.00 C ATOM 1329 OE1 GLN A 89 10.945 -13.509 -3.840 1.00 0.00 O ATOM 1330 NE2 GLN A 89 12.989 -13.192 -2.965 1.00 0.00 N ATOM 0 H GLN A 89 9.011 -9.931 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 89 10.961 -9.102 -0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.207 -11.055 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.507 -11.447 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.675 -11.000 -3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.394 -10.720 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.670 -12.535 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.220 -14.183 -3.032 1.00 0.00 H new ATOM 1339 N ASN A 90 11.767 -8.272 -3.654 1.00 0.00 N ATOM 1340 CA ASN A 90 12.682 -7.466 -4.453 1.00 0.00 C ATOM 1341 C ASN A 90 12.959 -6.126 -3.778 1.00 0.00 C ATOM 1342 O ASN A 90 14.107 -5.794 -3.483 1.00 0.00 O ATOM 1343 CB ASN A 90 12.103 -7.235 -5.851 1.00 0.00 C ATOM 1344 CG ASN A 90 11.790 -8.533 -6.569 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.537 -9.506 -6.469 1.00 0.00 O ATOM 1346 ND2 ASN A 90 10.681 -8.553 -7.298 1.00 0.00 N ATOM 0 H ASN A 90 10.962 -8.631 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 90 13.623 -8.010 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.194 -6.639 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.812 -6.657 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.418 -9.399 -7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.091 -7.723 -7.352 1.00 0.00 H new ATOM 1353 N ILE A 91 11.899 -5.362 -3.535 1.00 0.00 N ATOM 1354 CA ILE A 91 12.028 -4.060 -2.893 1.00 0.00 C ATOM 1355 C ILE A 91 11.805 -4.165 -1.388 1.00 0.00 C ATOM 1356 O ILE A 91 10.830 -4.764 -0.935 1.00 0.00 O ATOM 1357 CB ILE A 91 11.031 -3.042 -3.478 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.641 -2.339 -4.693 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.627 -2.027 -2.419 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.769 -1.238 -5.255 1.00 0.00 C ATOM 0 H ILE A 91 10.942 -5.622 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 91 13.043 -3.713 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 91 10.137 -3.575 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.607 -1.919 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.829 -3.077 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.922 -1.315 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.157 -2.543 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.512 -1.496 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.264 -0.784 -6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.812 -1.656 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.602 -0.480 -4.490 1.00 0.00 H new ATOM 1372 N SER A 92 12.714 -3.576 -0.618 1.00 0.00 N ATOM 1373 CA SER A 92 12.618 -3.604 0.837 1.00 0.00 C ATOM 1374 C SER A 92 11.702 -2.494 1.343 1.00 0.00 C ATOM 1375 O SER A 92 11.087 -1.774 0.556 1.00 0.00 O ATOM 1376 CB SER A 92 14.006 -3.461 1.464 1.00 0.00 C ATOM 1377 OG SER A 92 14.725 -4.681 1.396 1.00 0.00 O ATOM 0 H SER A 92 13.526 -3.073 -0.977 1.00 0.00 H new ATOM 0 HA SER A 92 12.192 -4.564 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.562 -2.678 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.908 -3.150 2.504 1.00 0.00 H new ATOM 0 HG SER A 92 15.609 -4.563 1.802 1.00 0.00 H new ATOM 1383 N HIS A 93 11.617 -2.361 2.663 1.00 0.00 N ATOM 1384 CA HIS A 93 10.777 -1.338 3.276 1.00 0.00 C ATOM 1385 C HIS A 93 11.282 0.059 2.928 1.00 0.00 C ATOM 1386 O HIS A 93 10.494 0.959 2.640 1.00 0.00 O ATOM 1387 CB HIS A 93 10.743 -1.518 4.793 1.00 0.00 C ATOM 1388 CG HIS A 93 11.808 -0.748 5.512 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.975 -1.324 5.967 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.877 0.560 5.852 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.716 -0.403 6.557 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.073 0.749 6.501 1.00 0.00 N ATOM 0 H HIS A 93 12.119 -2.949 3.328 1.00 0.00 H new ATOM 0 HA HIS A 93 9.767 -1.448 2.883 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.767 -1.207 5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.851 -2.577 5.027 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.131 1.315 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.684 -0.565 7.009 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.410 1.635 6.878 1.00 0.00 H new ATOM 1401 N GLN A 94 12.599 0.232 2.960 1.00 0.00 N ATOM 1402 CA GLN A 94 13.208 1.520 2.650 1.00 0.00 C ATOM 1403 C GLN A 94 12.753 2.022 1.283 1.00 0.00 C ATOM 1404 O GLN A 94 12.028 3.012 1.186 1.00 0.00 O ATOM 1405 CB GLN A 94 14.733 1.409 2.684 1.00 0.00 C ATOM 1406 CG GLN A 94 15.280 0.962 4.030 1.00 0.00 C ATOM 1407 CD GLN A 94 16.767 1.222 4.171 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.186 2.332 4.501 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.574 0.197 3.921 1.00 0.00 N ATOM 0 H GLN A 94 13.265 -0.503 3.197 1.00 0.00 H new ATOM 0 HA GLN A 94 12.887 2.237 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.055 0.704 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.165 2.376 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.747 1.483 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.087 -0.103 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.183 -0.706 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.584 0.312 4.000 1.00 0.00 H new ATOM 1418 N GLN A 95 13.185 1.334 0.232 1.00 0.00 N ATOM 1419 CA GLN A 95 12.823 1.711 -1.129 1.00 0.00 C ATOM 1420 C GLN A 95 11.350 2.097 -1.213 1.00 0.00 C ATOM 1421 O GLN A 95 10.995 3.098 -1.835 1.00 0.00 O ATOM 1422 CB GLN A 95 13.117 0.563 -2.095 1.00 0.00 C ATOM 1423 CG GLN A 95 14.515 0.611 -2.690 1.00 0.00 C ATOM 1424 CD GLN A 95 14.619 1.570 -3.860 1.00 0.00 C ATOM 1425 OE1 GLN A 95 13.891 1.445 -4.846 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.526 2.534 -3.758 1.00 0.00 N ATOM 0 H GLN A 95 13.786 0.513 0.296 1.00 0.00 H new ATOM 0 HA GLN A 95 13.424 2.576 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.986 -0.384 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.386 0.583 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 95 15.224 0.908 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.801 -0.388 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 95 16.108 2.600 -2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.641 3.208 -4.515 1.00 0.00 H new ATOM 1435 N ALA A 96 10.496 1.296 -0.584 1.00 0.00 N ATOM 1436 CA ALA A 96 9.062 1.555 -0.586 1.00 0.00 C ATOM 1437 C ALA A 96 8.763 2.992 -0.174 1.00 0.00 C ATOM 1438 O ALA A 96 7.926 3.660 -0.782 1.00 0.00 O ATOM 1439 CB ALA A 96 8.348 0.579 0.338 1.00 0.00 C ATOM 0 H ALA A 96 10.773 0.462 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 96 8.693 1.412 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.278 0.784 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.526 -0.441 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.729 0.694 1.353 1.00 0.00 H new ATOM 1445 N ILE A 97 9.450 3.461 0.862 1.00 0.00 N ATOM 1446 CA ILE A 97 9.257 4.819 1.354 1.00 0.00 C ATOM 1447 C ILE A 97 9.719 5.847 0.326 1.00 0.00 C ATOM 1448 O ILE A 97 9.098 6.897 0.162 1.00 0.00 O ATOM 1449 CB ILE A 97 10.016 5.053 2.674 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.698 3.940 3.674 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.661 6.413 3.255 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.566 3.975 4.913 1.00 0.00 C ATOM 0 H ILE A 97 10.145 2.920 1.377 1.00 0.00 H new ATOM 0 HA ILE A 97 8.189 4.941 1.532 1.00 0.00 H new ATOM 0 HB ILE A 97 11.086 5.036 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.652 4.017 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.820 2.975 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.205 6.564 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.934 7.194 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.589 6.457 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.285 3.158 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.612 3.867 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.427 4.925 5.428 1.00 0.00 H new ATOM 1464 N ALA A 98 10.811 5.536 -0.364 1.00 0.00 N ATOM 1465 CA ALA A 98 11.354 6.431 -1.379 1.00 0.00 C ATOM 1466 C ALA A 98 10.341 6.677 -2.492 1.00 0.00 C ATOM 1467 O ALA A 98 9.977 7.820 -2.772 1.00 0.00 O ATOM 1468 CB ALA A 98 12.642 5.859 -1.952 1.00 0.00 C ATOM 0 H ALA A 98 11.337 4.671 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 98 11.573 7.388 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.036 6.537 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.374 5.741 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.439 4.889 -2.405 1.00 0.00 H new ATOM 1474 N LEU A 99 9.890 5.599 -3.124 1.00 0.00 N ATOM 1475 CA LEU A 99 8.919 5.698 -4.208 1.00 0.00 C ATOM 1476 C LEU A 99 7.897 6.795 -3.925 1.00 0.00 C ATOM 1477 O LEU A 99 7.391 7.439 -4.845 1.00 0.00 O ATOM 1478 CB LEU A 99 8.206 4.359 -4.404 1.00 0.00 C ATOM 1479 CG LEU A 99 9.106 3.129 -4.519 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.271 1.868 -4.674 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.069 3.281 -5.688 1.00 0.00 C ATOM 0 H LEU A 99 10.181 4.646 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 99 9.456 5.954 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.524 4.208 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.596 4.424 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 99 9.689 3.042 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.930 1.003 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.623 1.751 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.661 1.944 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.702 2.396 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.503 3.394 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.692 4.162 -5.534 1.00 0.00 H new ATOM 1493 N LEU A 100 7.600 7.004 -2.648 1.00 0.00 N ATOM 1494 CA LEU A 100 6.640 8.025 -2.243 1.00 0.00 C ATOM 1495 C LEU A 100 7.307 9.394 -2.151 1.00 0.00 C ATOM 1496 O LEU A 100 6.955 10.316 -2.886 1.00 0.00 O ATOM 1497 CB LEU A 100 6.014 7.659 -0.896 1.00 0.00 C ATOM 1498 CG LEU A 100 5.377 6.272 -0.807 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.277 5.823 0.643 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.005 6.271 -1.463 1.00 0.00 C ATOM 0 H LEU A 100 8.010 6.480 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 100 5.857 8.073 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.784 7.733 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.253 8.402 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 100 6.013 5.567 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.821 4.834 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.274 5.783 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.664 6.530 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.567 5.275 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.359 6.989 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.103 6.548 -2.513 1.00 0.00 H new ATOM 1512 N GLN A 101 8.273 9.516 -1.246 1.00 0.00 N ATOM 1513 CA GLN A 101 8.990 10.772 -1.060 1.00 0.00 C ATOM 1514 C GLN A 101 9.560 11.274 -2.382 1.00 0.00 C ATOM 1515 O GLN A 101 9.951 12.436 -2.499 1.00 0.00 O ATOM 1516 CB GLN A 101 10.117 10.594 -0.040 1.00 0.00 C ATOM 1517 CG GLN A 101 9.646 10.046 1.297 1.00 0.00 C ATOM 1518 CD GLN A 101 10.593 10.381 2.432 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.350 11.307 3.206 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.682 9.628 2.536 1.00 0.00 N ATOM 0 H GLN A 101 8.577 8.761 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 101 8.284 11.513 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.868 9.922 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.604 11.555 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.658 10.448 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.540 8.964 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.844 8.871 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.357 9.807 3.280 1.00 0.00 H new ATOM 1529 N GLN A 102 9.606 10.392 -3.375 1.00 0.00 N ATOM 1530 CA GLN A 102 10.129 10.746 -4.689 1.00 0.00 C ATOM 1531 C GLN A 102 8.996 11.045 -5.664 1.00 0.00 C ATOM 1532 O GLN A 102 8.805 12.189 -6.081 1.00 0.00 O ATOM 1533 CB GLN A 102 11.003 9.616 -5.235 1.00 0.00 C ATOM 1534 CG GLN A 102 12.326 9.461 -4.503 1.00 0.00 C ATOM 1535 CD GLN A 102 13.418 8.889 -5.385 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.412 9.555 -5.674 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.238 7.646 -5.818 1.00 0.00 N ATOM 0 H GLN A 102 9.287 9.426 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 102 10.736 11.645 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.451 8.678 -5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.201 9.799 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.643 10.432 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.185 8.812 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.399 7.130 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.939 7.207 -6.415 1.00 0.00 H new ATOM 1546 N THR A 103 8.244 10.010 -6.026 1.00 0.00 N ATOM 1547 CA THR A 103 7.130 10.162 -6.953 1.00 0.00 C ATOM 1548 C THR A 103 6.389 11.472 -6.714 1.00 0.00 C ATOM 1549 O THR A 103 5.985 11.774 -5.590 1.00 0.00 O ATOM 1550 CB THR A 103 6.134 8.993 -6.830 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.685 7.815 -7.429 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.812 9.336 -7.500 1.00 0.00 C ATOM 0 H THR A 103 8.387 9.057 -5.691 1.00 0.00 H new ATOM 0 HA THR A 103 7.554 10.166 -7.957 1.00 0.00 H new ATOM 0 HB THR A 103 5.951 8.811 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.138 7.281 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.125 8.496 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.380 10.216 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.982 9.542 -8.557 1.00 0.00 H new ATOM 1560 N THR A 104 6.213 12.250 -7.778 1.00 0.00 N ATOM 1561 CA THR A 104 5.521 13.529 -7.683 1.00 0.00 C ATOM 1562 C THR A 104 4.100 13.427 -8.223 1.00 0.00 C ATOM 1563 O THR A 104 3.649 12.350 -8.611 1.00 0.00 O ATOM 1564 CB THR A 104 6.272 14.632 -8.453 1.00 0.00 C ATOM 1565 OG1 THR A 104 6.975 14.063 -9.563 1.00 0.00 O ATOM 1566 CG2 THR A 104 7.252 15.356 -7.543 1.00 0.00 C ATOM 0 H THR A 104 6.540 12.016 -8.715 1.00 0.00 H new ATOM 0 HA THR A 104 5.487 13.792 -6.626 1.00 0.00 H new ATOM 0 HB THR A 104 5.540 15.352 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.448 14.771 -10.048 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.770 16.130 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.710 15.813 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.979 14.644 -7.152 1.00 0.00 H new ATOM 1574 N GLY A 105 3.397 14.555 -8.245 1.00 0.00 N ATOM 1575 CA GLY A 105 2.032 14.570 -8.740 1.00 0.00 C ATOM 1576 C GLY A 105 1.246 13.348 -8.308 1.00 0.00 C ATOM 1577 O GLY A 105 1.623 12.663 -7.358 1.00 0.00 O ATOM 0 H GLY A 105 3.748 15.459 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.528 15.468 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.044 14.625 -9.829 1.00 0.00 H new ATOM 1581 N SER A 106 0.148 13.076 -9.006 1.00 0.00 N ATOM 1582 CA SER A 106 -0.697 11.932 -8.686 1.00 0.00 C ATOM 1583 C SER A 106 0.135 10.782 -8.126 1.00 0.00 C ATOM 1584 O SER A 106 1.239 10.510 -8.599 1.00 0.00 O ATOM 1585 CB SER A 106 -1.456 11.467 -9.931 1.00 0.00 C ATOM 1586 OG SER A 106 -2.673 12.177 -10.080 1.00 0.00 O ATOM 0 H SER A 106 -0.177 13.632 -9.797 1.00 0.00 H new ATOM 0 HA SER A 106 -1.414 12.243 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.835 11.613 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.661 10.399 -9.858 1.00 0.00 H new ATOM 0 HG SER A 106 -3.139 11.863 -10.883 1.00 0.00 H new ATOM 1592 N LEU A 107 -0.403 10.110 -7.113 1.00 0.00 N ATOM 1593 CA LEU A 107 0.288 8.989 -6.486 1.00 0.00 C ATOM 1594 C LEU A 107 -0.663 7.816 -6.269 1.00 0.00 C ATOM 1595 O LEU A 107 -1.497 7.840 -5.364 1.00 0.00 O ATOM 1596 CB LEU A 107 0.896 9.422 -5.151 1.00 0.00 C ATOM 1597 CG LEU A 107 1.543 8.314 -4.318 1.00 0.00 C ATOM 1598 CD1 LEU A 107 2.789 7.784 -5.010 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.880 8.824 -2.924 1.00 0.00 C ATOM 0 H LEU A 107 -1.315 10.322 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 107 1.087 8.666 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.647 10.187 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.114 9.889 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 107 0.831 7.495 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.235 6.997 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.519 7.381 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.507 8.594 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.339 8.023 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.574 9.661 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.968 9.154 -2.427 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.529 6.791 -7.103 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.375 5.608 -7.002 1.00 0.00 C ATOM 1613 C ARG A 108 -0.773 4.589 -6.039 1.00 0.00 C ATOM 1614 O ARG A 108 0.427 4.312 -6.082 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.567 4.972 -8.380 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.686 3.944 -8.427 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.191 2.563 -8.026 1.00 0.00 C ATOM 1618 NE ARG A 108 -1.609 1.842 -9.155 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.310 1.430 -10.205 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -3.613 1.667 -10.270 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -1.709 0.780 -11.193 1.00 0.00 N ATOM 0 H ARG A 108 0.157 6.755 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.345 5.919 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.776 5.757 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.635 4.496 -8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.492 4.251 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.103 3.904 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.447 2.660 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.019 1.986 -7.615 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.609 1.644 -9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.079 2.167 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.149 1.350 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.707 0.596 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.249 0.464 -11.999 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.612 4.035 -5.171 1.00 0.00 N ATOM 1636 CA LEU A 109 -1.162 3.047 -4.196 1.00 0.00 C ATOM 1637 C LEU A 109 -2.116 1.857 -4.148 1.00 0.00 C ATOM 1638 O LEU A 109 -3.301 2.011 -3.852 1.00 0.00 O ATOM 1639 CB LEU A 109 -1.051 3.683 -2.810 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.229 4.970 -2.725 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.296 5.555 -1.323 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.215 4.707 -3.127 1.00 0.00 C ATOM 0 H LEU A 109 -2.607 4.253 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.179 2.690 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.057 3.894 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.614 2.951 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.652 5.696 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.295 6.470 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.332 5.781 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.102 4.834 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.786 5.633 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.650 3.965 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.246 4.334 -4.151 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.590 0.672 -4.437 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.394 -0.544 -4.423 1.00 0.00 C ATOM 1656 C ILE A 110 -2.336 -1.225 -3.060 1.00 0.00 C ATOM 1657 O ILE A 110 -1.373 -1.923 -2.743 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.928 -1.539 -5.502 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.167 -0.960 -6.898 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.651 -2.869 -5.343 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.492 -1.745 -8.001 1.00 0.00 C ATOM 0 H ILE A 110 -0.611 0.528 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.421 -0.246 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.859 -1.712 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.239 -0.927 -7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.807 0.069 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.311 -3.562 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.435 -3.285 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.725 -2.713 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.704 -1.278 -8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.415 -1.756 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.870 -2.768 -8.003 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.375 -1.019 -2.257 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.445 -1.615 -0.928 1.00 0.00 C ATOM 1675 C VAL A 111 -4.444 -2.767 -0.895 1.00 0.00 C ATOM 1676 O VAL A 111 -5.310 -2.876 -1.762 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.843 -0.574 0.134 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.798 0.527 0.221 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.215 0.005 -0.176 1.00 0.00 C ATOM 0 H VAL A 111 -4.180 -0.444 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.449 -1.994 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.894 -1.070 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.097 1.253 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.835 0.094 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.712 1.024 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.480 0.739 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.194 0.487 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.955 -0.795 -0.182 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.316 -3.624 0.113 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.209 -4.767 0.261 1.00 0.00 C ATOM 1691 C ALA A 112 -6.201 -4.544 1.397 1.00 0.00 C ATOM 1692 O ALA A 112 -5.942 -3.768 2.317 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.405 -6.037 0.501 1.00 0.00 C ATOM 0 H ALA A 112 -3.603 -3.548 0.839 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.775 -4.878 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.084 -6.883 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.740 -6.212 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.814 -5.927 1.410 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.338 -5.229 1.326 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.370 -5.104 2.348 1.00 0.00 C ATOM 1701 C ARG A 113 -8.889 -6.476 2.768 1.00 0.00 C ATOM 1702 O ARG A 113 -8.654 -7.473 2.087 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.527 -4.246 1.832 1.00 0.00 C ATOM 1704 CG ARG A 113 -9.077 -3.038 1.026 1.00 0.00 C ATOM 1705 CD ARG A 113 -8.869 -1.821 1.914 1.00 0.00 C ATOM 1706 NE ARG A 113 -8.816 -0.583 1.142 1.00 0.00 N ATOM 1707 CZ ARG A 113 -8.597 0.611 1.682 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -8.412 0.727 2.990 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.563 1.692 0.913 1.00 0.00 N ATOM 0 H ARG A 113 -7.568 -5.876 0.572 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.927 -4.620 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.178 -4.863 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.122 -3.906 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.149 -3.272 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.822 -2.810 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.679 -1.760 2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.943 -1.937 2.477 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.955 -0.638 0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.438 -0.102 3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.244 1.645 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.705 1.607 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.395 2.608 1.328 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.593 -6.517 3.895 1.00 0.00 N ATOM 1724 CA GLU A 114 -10.143 -7.767 4.406 1.00 0.00 C ATOM 1725 C GLU A 114 -11.621 -7.899 4.047 1.00 0.00 C ATOM 1726 O GLU A 114 -12.389 -6.939 4.110 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.967 -7.845 5.924 1.00 0.00 C ATOM 1728 CG GLU A 114 -10.169 -9.241 6.489 1.00 0.00 C ATOM 1729 CD GLU A 114 -10.054 -9.281 8.000 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -10.979 -8.786 8.679 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -9.039 -9.805 8.505 1.00 0.00 O ATOM 0 H GLU A 114 -9.796 -5.700 4.471 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.599 -8.590 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.967 -7.498 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.674 -7.164 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.151 -9.610 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.431 -9.915 6.054 1.00 0.00 H new ATOM 1738 N PRO A 115 -12.029 -9.117 3.660 1.00 0.00 N ATOM 1739 CA PRO A 115 -13.416 -9.404 3.283 1.00 0.00 C ATOM 1740 C PRO A 115 -14.363 -9.358 4.477 1.00 0.00 C ATOM 1741 O PRO A 115 -13.935 -9.475 5.626 1.00 0.00 O ATOM 1742 CB PRO A 115 -13.342 -10.822 2.712 1.00 0.00 C ATOM 1743 CG PRO A 115 -12.148 -11.430 3.362 1.00 0.00 C ATOM 1744 CD PRO A 115 -11.168 -10.307 3.561 1.00 0.00 C ATOM 0 HA PRO A 115 -13.809 -8.668 2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.246 -11.387 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.238 -10.807 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.414 -11.889 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.721 -12.215 2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.573 -10.448 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.470 -10.230 2.727 1.00 0.00 H new ATOM 1752 N VAL A 116 -15.651 -9.190 4.199 1.00 0.00 N ATOM 1753 CA VAL A 116 -16.659 -9.131 5.251 1.00 0.00 C ATOM 1754 C VAL A 116 -16.079 -8.551 6.536 1.00 0.00 C ATOM 1755 O VAL A 116 -16.404 -9.001 7.636 1.00 0.00 O ATOM 1756 CB VAL A 116 -17.243 -10.525 5.548 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -16.219 -11.392 6.265 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -18.519 -10.404 6.368 1.00 0.00 C ATOM 0 H VAL A 116 -16.022 -9.092 3.254 1.00 0.00 H new ATOM 0 HA VAL A 116 -17.456 -8.481 4.889 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.490 -11.005 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -16.650 -12.373 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -15.335 -11.506 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -15.937 -10.919 7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.918 -11.398 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.299 -9.904 7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -19.255 -9.823 5.812 1.00 0.00 H new ATOM 1768 N HIS A 117 -15.218 -7.549 6.391 1.00 0.00 N ATOM 1769 CA HIS A 117 -14.592 -6.906 7.541 1.00 0.00 C ATOM 1770 C HIS A 117 -15.647 -6.369 8.504 1.00 0.00 C ATOM 1771 O HIS A 117 -16.764 -6.043 8.100 1.00 0.00 O ATOM 1772 CB HIS A 117 -13.679 -5.769 7.082 1.00 0.00 C ATOM 1773 CG HIS A 117 -14.421 -4.543 6.646 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -13.954 -3.264 6.862 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -15.603 -4.407 6.001 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -14.818 -2.393 6.371 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -15.827 -3.061 5.842 1.00 0.00 N ATOM 0 H HIS A 117 -14.938 -7.165 5.489 1.00 0.00 H new ATOM 0 HA HIS A 117 -13.995 -7.653 8.063 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -13.004 -5.505 7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -13.060 -6.122 6.257 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -16.250 -5.207 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -14.716 -1.318 6.398 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -16.641 -2.645 5.389 1.00 0.00 H new ATOM 1786 N THR A 118 -15.286 -6.281 9.780 1.00 0.00 N ATOM 1787 CA THR A 118 -16.201 -5.787 10.801 1.00 0.00 C ATOM 1788 C THR A 118 -15.509 -4.789 11.723 1.00 0.00 C ATOM 1789 O THR A 118 -14.286 -4.653 11.702 1.00 0.00 O ATOM 1790 CB THR A 118 -16.774 -6.939 11.648 1.00 0.00 C ATOM 1791 OG1 THR A 118 -17.858 -6.463 12.453 1.00 0.00 O ATOM 1792 CG2 THR A 118 -15.699 -7.540 12.541 1.00 0.00 C ATOM 0 H THR A 118 -14.366 -6.546 10.131 1.00 0.00 H new ATOM 0 HA THR A 118 -17.018 -5.289 10.278 1.00 0.00 H new ATOM 0 HB THR A 118 -17.137 -7.713 10.971 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.218 -7.202 12.987 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.127 -8.351 13.130 1.00 0.00 H new ATOM 0 HG22 THR A 118 -14.888 -7.928 11.924 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.311 -6.772 13.210 1.00 0.00 H new ATOM 1800 N LYS A 119 -16.299 -4.092 12.533 1.00 0.00 N ATOM 1801 CA LYS A 119 -15.764 -3.107 13.465 1.00 0.00 C ATOM 1802 C LYS A 119 -16.603 -3.048 14.737 1.00 0.00 C ATOM 1803 O LYS A 119 -17.764 -3.458 14.745 1.00 0.00 O ATOM 1804 CB LYS A 119 -15.717 -1.726 12.808 1.00 0.00 C ATOM 1805 CG LYS A 119 -17.089 -1.135 12.535 1.00 0.00 C ATOM 1806 CD LYS A 119 -17.668 -1.648 11.227 1.00 0.00 C ATOM 1807 CE LYS A 119 -19.188 -1.619 11.240 1.00 0.00 C ATOM 1808 NZ LYS A 119 -19.769 -2.467 10.163 1.00 0.00 N ATOM 0 H LYS A 119 -17.314 -4.192 12.562 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.752 -3.410 13.733 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -15.159 -1.046 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.168 -1.798 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -17.763 -1.384 13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -17.017 -0.048 12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.299 -1.040 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.324 -2.667 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.549 -1.964 12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -19.533 -0.592 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -20.807 -2.420 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.445 -2.122 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -19.461 -3.452 10.293 1.00 0.00 H new ATOM 1822 N SER A 120 -16.009 -2.535 15.809 1.00 0.00 N ATOM 1823 CA SER A 120 -16.702 -2.425 17.088 1.00 0.00 C ATOM 1824 C SER A 120 -16.197 -1.221 17.877 1.00 0.00 C ATOM 1825 O SER A 120 -15.016 -0.879 17.822 1.00 0.00 O ATOM 1826 CB SER A 120 -16.512 -3.703 17.907 1.00 0.00 C ATOM 1827 OG SER A 120 -17.501 -4.666 17.587 1.00 0.00 O ATOM 0 H SER A 120 -15.050 -2.189 15.818 1.00 0.00 H new ATOM 0 HA SER A 120 -17.764 -2.286 16.887 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.522 -4.117 17.716 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.560 -3.468 18.970 1.00 0.00 H new ATOM 0 HG SER A 120 -17.819 -4.516 16.672 1.00 0.00 H new ATOM 1833 N SER A 121 -17.102 -0.582 18.612 1.00 0.00 N ATOM 1834 CA SER A 121 -16.751 0.586 19.411 1.00 0.00 C ATOM 1835 C SER A 121 -15.848 1.531 18.624 1.00 0.00 C ATOM 1836 O SER A 121 -14.805 1.965 19.113 1.00 0.00 O ATOM 1837 CB SER A 121 -16.054 0.156 20.703 1.00 0.00 C ATOM 1838 OG SER A 121 -16.079 1.195 21.666 1.00 0.00 O ATOM 0 H SER A 121 -18.083 -0.854 18.671 1.00 0.00 H new ATOM 0 HA SER A 121 -17.671 1.114 19.661 1.00 0.00 H new ATOM 0 HB2 SER A 121 -16.544 -0.730 21.107 1.00 0.00 H new ATOM 0 HB3 SER A 121 -15.022 -0.120 20.488 1.00 0.00 H new ATOM 0 HG SER A 121 -15.684 2.006 21.283 1.00 0.00 H new ATOM 1844 N THR A 122 -16.258 1.847 17.399 1.00 0.00 N ATOM 1845 CA THR A 122 -15.488 2.739 16.542 1.00 0.00 C ATOM 1846 C THR A 122 -15.946 4.184 16.699 1.00 0.00 C ATOM 1847 O THR A 122 -16.044 4.925 15.720 1.00 0.00 O ATOM 1848 CB THR A 122 -15.604 2.334 15.060 1.00 0.00 C ATOM 1849 OG1 THR A 122 -16.980 2.311 14.665 1.00 0.00 O ATOM 1850 CG2 THR A 122 -14.980 0.967 14.822 1.00 0.00 C ATOM 0 H THR A 122 -17.119 1.498 16.979 1.00 0.00 H new ATOM 0 HA THR A 122 -14.447 2.655 16.854 1.00 0.00 H new ATOM 0 HB THR A 122 -15.067 3.070 14.462 1.00 0.00 H new ATOM 0 HG1 THR A 122 -17.045 2.054 13.721 1.00 0.00 H new ATOM 0 HG21 THR A 122 -15.074 0.703 13.769 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.925 0.996 15.096 1.00 0.00 H new ATOM 0 HG23 THR A 122 -15.493 0.222 15.430 1.00 0.00 H new ATOM 1858 N SER A 123 -16.225 4.580 17.937 1.00 0.00 N ATOM 1859 CA SER A 123 -16.677 5.937 18.222 1.00 0.00 C ATOM 1860 C SER A 123 -15.494 6.898 18.301 1.00 0.00 C ATOM 1861 O SER A 123 -14.815 6.981 19.323 1.00 0.00 O ATOM 1862 CB SER A 123 -17.464 5.971 19.533 1.00 0.00 C ATOM 1863 OG SER A 123 -18.800 5.542 19.337 1.00 0.00 O ATOM 0 H SER A 123 -16.146 3.981 18.758 1.00 0.00 H new ATOM 0 HA SER A 123 -17.328 6.255 17.408 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.978 5.331 20.269 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.459 6.983 19.937 1.00 0.00 H new ATOM 0 HG SER A 123 -19.281 5.571 20.190 1.00 0.00 H new ATOM 1869 N GLY A 124 -15.254 7.623 17.212 1.00 0.00 N ATOM 1870 CA GLY A 124 -14.154 8.568 17.177 1.00 0.00 C ATOM 1871 C GLY A 124 -14.626 10.008 17.184 1.00 0.00 C ATOM 1872 O GLY A 124 -15.674 10.343 16.631 1.00 0.00 O ATOM 0 H GLY A 124 -15.802 7.572 16.353 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.505 8.397 18.036 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -13.554 8.390 16.284 1.00 0.00 H new ATOM 1876 N PRO A 125 -13.843 10.889 17.824 1.00 0.00 N ATOM 1877 CA PRO A 125 -14.167 12.316 17.917 1.00 0.00 C ATOM 1878 C PRO A 125 -14.039 13.028 16.575 1.00 0.00 C ATOM 1879 O PRO A 125 -13.131 12.742 15.794 1.00 0.00 O ATOM 1880 CB PRO A 125 -13.131 12.851 18.908 1.00 0.00 C ATOM 1881 CG PRO A 125 -11.983 11.908 18.801 1.00 0.00 C ATOM 1882 CD PRO A 125 -12.580 10.560 18.505 1.00 0.00 C ATOM 0 HA PRO A 125 -15.199 12.481 18.228 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.832 13.869 18.657 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -13.529 12.876 19.922 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -11.299 12.214 18.009 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -11.409 11.886 19.727 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.926 9.961 17.871 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.752 9.988 19.417 1.00 0.00 H new ATOM 1890 N SER A 126 -14.954 13.956 16.313 1.00 0.00 N ATOM 1891 CA SER A 126 -14.944 14.707 15.063 1.00 0.00 C ATOM 1892 C SER A 126 -15.031 16.207 15.330 1.00 0.00 C ATOM 1893 O SER A 126 -16.121 16.764 15.462 1.00 0.00 O ATOM 1894 CB SER A 126 -16.107 14.269 14.171 1.00 0.00 C ATOM 1895 OG SER A 126 -16.097 14.968 12.939 1.00 0.00 O ATOM 0 H SER A 126 -15.711 14.206 16.949 1.00 0.00 H new ATOM 0 HA SER A 126 -14.004 14.500 14.551 1.00 0.00 H new ATOM 0 HB2 SER A 126 -16.043 13.197 13.985 1.00 0.00 H new ATOM 0 HB3 SER A 126 -17.051 14.447 14.686 1.00 0.00 H new ATOM 0 HG SER A 126 -16.849 14.669 12.387 1.00 0.00 H new ATOM 1901 N SER A 127 -13.873 16.855 15.408 1.00 0.00 N ATOM 1902 CA SER A 127 -13.816 18.290 15.663 1.00 0.00 C ATOM 1903 C SER A 127 -13.290 19.038 14.442 1.00 0.00 C ATOM 1904 O SER A 127 -12.296 18.639 13.836 1.00 0.00 O ATOM 1905 CB SER A 127 -12.927 18.579 16.874 1.00 0.00 C ATOM 1906 OG SER A 127 -13.303 19.792 17.504 1.00 0.00 O ATOM 0 H SER A 127 -12.962 16.409 15.298 1.00 0.00 H new ATOM 0 HA SER A 127 -14.828 18.637 15.872 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.999 17.758 17.587 1.00 0.00 H new ATOM 0 HB3 SER A 127 -11.885 18.637 16.559 1.00 0.00 H new ATOM 0 HG SER A 127 -12.721 19.954 18.276 1.00 0.00 H new ATOM 1912 N GLY A 128 -13.965 20.127 14.086 1.00 0.00 N ATOM 1913 CA GLY A 128 -13.552 20.915 12.939 1.00 0.00 C ATOM 1914 C GLY A 128 -14.466 20.723 11.745 1.00 0.00 C ATOM 1915 O GLY A 128 -14.013 20.356 10.661 1.00 0.00 O ATOM 0 H GLY A 128 -14.791 20.478 14.572 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -13.535 21.970 13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.534 20.641 12.661 1.00 0.00 H new TER 1919 GLY A 128