USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1099 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 128 HIS :FLIP no HD1:sc= -0.124 F(o=-0.62,f=0.17) USER MOD Set 1.2: A 132 HIS : no HE2:sc= 0.294 K(o=0.17,f=-3.3!) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.942 K(o=1.7,f=-11!) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -154:sc= 0.796 (180deg=-2.88!) USER MOD Set 3.1: A 20 ASN : amide:sc= -0.496 K(o=-2.4,f=-2.9) USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= 0.579 F(o=-3.9,f=-2.4) USER MOD Set 3.3: A 30 THR OG1 : rot -53:sc= -1.02 USER MOD Set 3.4: A 32 GLN :FLIP amide:sc= -1.45 F(o=-5.3!,f=-2.4) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 179:sc= 1.44 (180deg=1.12) USER MOD Set 4.2: A 29 GLN : amide:sc= -2.62! X(o=-1.2!,f=-0.88) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.158 (180deg=-0.701) USER MOD Single : A 1 MET N :NH3+ -178:sc= -3.03! (180deg=-3.07!) USER MOD Single : A 2 MET CE :methyl 166:sc= -0.0725 (180deg=-0.411) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.744 F(o=-0.13,f=0.74) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 1.99 (180deg=1.31) USER MOD Single : A 28 TYR OH : rot -160:sc= -1.29! USER MOD Single : A 35 ASN :FLIP amide:sc= -0.497 F(o=-4.3!,f=-0.5) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 0.367 (180deg=0.0745) USER MOD Single : A 55 MET CE :methyl 152:sc= -0.788! (180deg=-2.46!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -172:sc= 0 (180deg=-0.105) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 2.09 (180deg=2.06) USER MOD Single : A 69 MET CE :methyl -114:sc= -6.27! (180deg=-10.4!) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= -2.24! (180deg=-2.36!) USER MOD Single : A 75 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 81 MET CE :methyl 174:sc= -0.885 (180deg=-1.02) USER MOD Single : A 82 THR OG1 : rot 70:sc= -0.619 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.13 F(o=-2!,f=-1.1) USER MOD Single : A 93 SER OG : rot 20:sc= -1.35 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 147:sc= -3.17! USER MOD Single : A 116 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0.791) USER MOD Single : A 117 LYS NZ :NH3+ -119:sc= 0.527 (180deg=-2.13!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 12:sc= 0.819 USER MOD Single : A 124 ASN : amide:sc= 0.196 K(o=0.2,f=-11!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0042) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.372 6.518 -6.397 1.00 4.15 N ATOM 2 CA MET A 1 7.569 7.223 -6.911 1.00 3.53 C ATOM 3 C MET A 1 7.491 8.704 -6.579 1.00 2.88 C ATOM 4 O MET A 1 6.790 9.086 -5.643 1.00 3.29 O ATOM 5 CB MET A 1 7.731 7.014 -8.420 1.00 3.87 C ATOM 6 CG MET A 1 8.121 5.594 -8.793 1.00 4.48 C ATOM 7 SD MET A 1 8.614 5.429 -10.519 1.00 5.46 S ATOM 8 CE MET A 1 10.126 6.391 -10.528 1.00 6.07 C ATOM 0 H1 MET A 1 6.454 5.501 -6.601 1.00 4.15 H new ATOM 0 H2 MET A 1 6.300 6.661 -5.369 1.00 4.15 H new ATOM 0 H3 MET A 1 5.521 6.896 -6.860 1.00 4.15 H new ATOM 0 HA MET A 1 8.447 6.801 -6.422 1.00 3.53 H new ATOM 0 HB2 MET A 1 6.795 7.269 -8.917 1.00 3.87 H new ATOM 0 HB3 MET A 1 8.489 7.702 -8.795 1.00 3.87 H new ATOM 0 HG2 MET A 1 8.942 5.269 -8.154 1.00 4.48 H new ATOM 0 HG3 MET A 1 7.281 4.929 -8.596 1.00 4.48 H new ATOM 0 HE1 MET A 1 10.763 6.060 -11.348 1.00 6.07 H new ATOM 0 HE2 MET A 1 9.885 7.446 -10.658 1.00 6.07 H new ATOM 0 HE3 MET A 1 10.651 6.253 -9.583 1.00 6.07 H new ATOM 20 N MET A 2 8.212 9.532 -7.342 1.00 2.34 N ATOM 21 CA MET A 2 8.354 10.959 -7.040 1.00 1.89 C ATOM 22 C MET A 2 9.224 11.131 -5.798 1.00 1.54 C ATOM 23 O MET A 2 10.442 11.292 -5.895 1.00 2.12 O ATOM 24 CB MET A 2 6.985 11.629 -6.844 1.00 1.97 C ATOM 25 CG MET A 2 6.140 11.693 -8.108 1.00 2.44 C ATOM 26 SD MET A 2 4.457 12.272 -7.801 1.00 3.03 S ATOM 27 CE MET A 2 4.769 13.877 -7.073 1.00 3.88 C ATOM 0 H MET A 2 8.710 9.234 -8.181 1.00 2.34 H new ATOM 0 HA MET A 2 8.835 11.448 -7.887 1.00 1.89 H new ATOM 0 HB2 MET A 2 6.433 11.086 -6.077 1.00 1.97 H new ATOM 0 HB3 MET A 2 7.138 12.641 -6.470 1.00 1.97 H new ATOM 0 HG2 MET A 2 6.621 12.356 -8.827 1.00 2.44 H new ATOM 0 HG3 MET A 2 6.101 10.703 -8.563 1.00 2.44 H new ATOM 0 HE1 MET A 2 3.845 14.456 -7.058 1.00 3.88 H new ATOM 0 HE2 MET A 2 5.133 13.750 -6.054 1.00 3.88 H new ATOM 0 HE3 MET A 2 5.518 14.405 -7.663 1.00 3.88 H new ATOM 37 N ASN A 3 8.595 11.064 -4.636 1.00 0.88 N ATOM 38 CA ASN A 3 9.312 11.031 -3.370 1.00 0.71 C ATOM 39 C ASN A 3 8.907 9.751 -2.642 1.00 0.66 C ATOM 40 O ASN A 3 9.293 9.505 -1.503 1.00 1.42 O ATOM 41 CB ASN A 3 8.985 12.279 -2.537 1.00 0.84 C ATOM 42 CG ASN A 3 10.044 12.601 -1.493 1.00 1.38 C ATOM 43 OD1 ASN A 3 10.225 13.881 -1.216 1.00 2.35 O flip ATOM 44 ND2 ASN A 3 10.707 11.718 -0.955 1.00 1.61 N flip ATOM 0 H ASN A 3 7.580 11.031 -4.543 1.00 0.88 H new ATOM 0 HA ASN A 3 10.389 11.034 -3.536 1.00 0.71 H new ATOM 0 HB2 ASN A 3 8.871 13.133 -3.205 1.00 0.84 H new ATOM 0 HB3 ASN A 3 8.026 12.134 -2.039 1.00 0.84 H new ATOM 0 HD21 ASN A 3 10.541 10.740 -1.192 1.00 1.61 H new ATOM 0 HD22 ASN A 3 11.423 11.963 -0.271 1.00 1.61 H new ATOM 51 N GLU A 4 8.099 8.958 -3.347 1.00 0.57 N ATOM 52 CA GLU A 4 7.639 7.639 -2.912 1.00 0.38 C ATOM 53 C GLU A 4 6.718 7.741 -1.686 1.00 0.32 C ATOM 54 O GLU A 4 7.153 8.092 -0.589 1.00 0.50 O ATOM 55 CB GLU A 4 8.834 6.704 -2.651 1.00 0.52 C ATOM 56 CG GLU A 4 8.485 5.261 -2.756 1.00 0.64 C ATOM 57 CD GLU A 4 7.960 4.956 -4.144 1.00 1.56 C ATOM 58 OE1 GLU A 4 8.759 4.976 -5.101 1.00 1.85 O ATOM 59 OE2 GLU A 4 6.734 4.768 -4.294 1.00 2.30 O ATOM 0 H GLU A 4 7.736 9.224 -4.263 1.00 0.57 H new ATOM 0 HA GLU A 4 7.048 7.205 -3.718 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.627 6.932 -3.363 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.232 6.903 -1.656 1.00 0.52 H new ATOM 0 HG2 GLU A 4 9.363 4.650 -2.548 1.00 0.64 H new ATOM 0 HG3 GLU A 4 7.734 5.005 -2.009 1.00 0.64 H new ATOM 66 N LYS A 5 5.436 7.445 -1.885 1.00 0.21 N ATOM 67 CA LYS A 5 4.435 7.604 -0.832 1.00 0.14 C ATOM 68 C LYS A 5 3.499 6.407 -0.772 1.00 0.11 C ATOM 69 O LYS A 5 3.145 5.819 -1.796 1.00 0.12 O ATOM 70 CB LYS A 5 3.616 8.863 -1.084 1.00 0.16 C ATOM 71 CG LYS A 5 2.889 9.349 0.152 1.00 0.16 C ATOM 72 CD LYS A 5 3.399 10.703 0.601 1.00 0.30 C ATOM 73 CE LYS A 5 3.219 11.773 -0.457 1.00 0.54 C ATOM 74 NZ LYS A 5 3.673 13.098 0.041 1.00 0.80 N ATOM 0 H LYS A 5 5.065 7.093 -2.767 1.00 0.21 H new ATOM 0 HA LYS A 5 4.961 7.682 0.119 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.274 9.652 -1.446 1.00 0.16 H new ATOM 0 HB3 LYS A 5 2.890 8.666 -1.873 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.821 9.412 -0.054 1.00 0.16 H new ATOM 0 HG3 LYS A 5 3.016 8.626 0.958 1.00 0.16 H new ATOM 0 HD2 LYS A 5 2.874 11.002 1.508 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.456 10.623 0.856 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.782 11.504 -1.350 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.170 11.830 -0.747 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.555 13.810 -0.708 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.106 13.370 0.870 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.676 13.043 0.311 1.00 0.80 H new ATOM 88 N ILE A 6 3.061 6.089 0.436 1.00 0.10 N ATOM 89 CA ILE A 6 2.225 4.930 0.665 1.00 0.09 C ATOM 90 C ILE A 6 1.100 5.237 1.631 1.00 0.08 C ATOM 91 O ILE A 6 1.177 6.155 2.438 1.00 0.08 O ATOM 92 CB ILE A 6 3.071 3.740 1.170 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.534 2.908 -0.012 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.332 2.875 2.193 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.547 1.876 0.377 1.00 0.20 C ATOM 0 H ILE A 6 3.275 6.625 1.277 1.00 0.10 H new ATOM 0 HA ILE A 6 1.773 4.654 -0.288 1.00 0.09 H new ATOM 0 HB ILE A 6 3.936 4.149 1.691 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.674 2.416 -0.465 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.961 3.565 -0.770 1.00 0.14 H new ATOM 0 HG21 ILE A 6 2.977 2.056 2.510 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.065 3.482 3.058 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.427 2.470 1.741 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.845 1.308 -0.504 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.421 2.367 0.805 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.113 1.200 1.114 1.00 0.20 H new ATOM 107 N LEU A 7 0.047 4.469 1.499 1.00 0.09 N ATOM 108 CA LEU A 7 -1.114 4.575 2.340 1.00 0.08 C ATOM 109 C LEU A 7 -1.527 3.172 2.735 1.00 0.09 C ATOM 110 O LEU A 7 -1.946 2.401 1.887 1.00 0.17 O ATOM 111 CB LEU A 7 -2.218 5.216 1.525 1.00 0.10 C ATOM 112 CG LEU A 7 -3.248 5.998 2.297 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.171 6.697 1.319 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.043 5.100 3.234 1.00 0.12 C ATOM 0 H LEU A 7 -0.026 3.740 0.790 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.914 5.171 3.231 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.761 5.882 0.793 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.731 4.432 0.967 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.738 6.737 2.915 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.920 7.266 1.869 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.591 7.373 0.691 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.666 5.955 0.693 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.777 5.697 3.775 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.556 4.333 2.654 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.366 4.626 3.945 1.00 0.12 H new ATOM 126 N ILE A 8 -1.389 2.812 3.986 1.00 0.09 N ATOM 127 CA ILE A 8 -1.778 1.469 4.384 1.00 0.10 C ATOM 128 C ILE A 8 -3.146 1.489 5.018 1.00 0.11 C ATOM 129 O ILE A 8 -3.296 1.923 6.156 1.00 0.13 O ATOM 130 CB ILE A 8 -0.812 0.823 5.381 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.636 1.156 5.037 1.00 0.14 C ATOM 132 CG2 ILE A 8 -1.017 -0.684 5.398 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.257 2.093 6.023 1.00 0.22 C ATOM 0 H ILE A 8 -1.023 3.404 4.732 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.768 0.878 3.468 1.00 0.10 H new ATOM 0 HB ILE A 8 -1.022 1.224 6.372 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.218 0.235 4.999 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.677 1.600 4.043 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.327 -1.137 6.109 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -2.042 -0.908 5.694 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.830 -1.088 4.403 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.287 2.297 5.732 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.694 3.026 6.043 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.243 1.640 7.014 1.00 0.22 H new ATOM 145 N VAL A 9 -4.136 1.039 4.285 1.00 0.17 N ATOM 146 CA VAL A 9 -5.466 0.913 4.827 1.00 0.18 C ATOM 147 C VAL A 9 -5.584 -0.431 5.526 1.00 0.18 C ATOM 148 O VAL A 9 -5.829 -1.436 4.877 1.00 0.28 O ATOM 149 CB VAL A 9 -6.549 1.005 3.735 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.940 0.940 4.354 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.373 2.272 2.925 1.00 0.26 C ATOM 0 H VAL A 9 -4.045 0.754 3.310 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.624 1.736 5.524 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.440 0.154 3.063 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.692 1.006 3.567 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.057 -0.003 4.889 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -8.068 1.770 5.049 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -7.145 2.323 2.157 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.456 3.138 3.582 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.391 2.268 2.452 1.00 0.26 H new ATOM 161 N ASP A 10 -5.338 -0.460 6.826 1.00 0.17 N ATOM 162 CA ASP A 10 -5.511 -1.688 7.586 1.00 0.18 C ATOM 163 C ASP A 10 -5.838 -1.389 9.051 1.00 0.17 C ATOM 164 O ASP A 10 -4.963 -0.992 9.816 1.00 0.32 O ATOM 165 CB ASP A 10 -4.256 -2.553 7.498 1.00 0.30 C ATOM 166 CG ASP A 10 -4.524 -3.974 7.936 1.00 1.02 C ATOM 167 OD1 ASP A 10 -5.426 -4.630 7.369 1.00 1.26 O ATOM 168 OD2 ASP A 10 -3.838 -4.453 8.848 1.00 1.82 O ATOM 0 H ASP A 10 -5.022 0.342 7.372 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.349 -2.233 7.152 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.885 -2.552 6.473 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -3.473 -2.122 8.121 1.00 0.30 H new ATOM 173 N ASP A 11 -7.103 -1.567 9.434 1.00 0.29 N ATOM 174 CA ASP A 11 -7.564 -1.283 10.805 1.00 0.31 C ATOM 175 C ASP A 11 -6.726 -2.021 11.838 1.00 0.37 C ATOM 176 O ASP A 11 -6.389 -1.455 12.882 1.00 0.46 O ATOM 177 CB ASP A 11 -9.036 -1.661 10.976 1.00 0.36 C ATOM 178 CG ASP A 11 -9.577 -1.382 12.363 1.00 0.41 C ATOM 179 OD1 ASP A 11 -10.037 -0.245 12.607 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.509 -2.283 13.226 1.00 0.51 O ATOM 0 H ASP A 11 -7.836 -1.909 8.813 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.449 -0.211 10.966 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.631 -1.112 10.246 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -9.158 -2.721 10.754 1.00 0.36 H new ATOM 185 N GLN A 12 -6.395 -3.278 11.546 1.00 0.43 N ATOM 186 CA GLN A 12 -5.482 -4.042 12.388 1.00 0.54 C ATOM 187 C GLN A 12 -4.072 -3.488 12.230 1.00 0.49 C ATOM 188 O GLN A 12 -3.218 -4.054 11.553 1.00 0.68 O ATOM 189 CB GLN A 12 -5.556 -5.543 12.071 1.00 0.79 C ATOM 190 CG GLN A 12 -5.829 -5.847 10.611 1.00 0.71 C ATOM 191 CD GLN A 12 -6.102 -7.316 10.347 1.00 1.24 C ATOM 192 OE1 GLN A 12 -5.190 -8.091 10.053 1.00 1.80 O ATOM 193 NE2 GLN A 12 -7.360 -7.706 10.444 1.00 2.07 N ATOM 0 H GLN A 12 -6.746 -3.786 10.734 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.778 -3.937 13.432 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -4.616 -6.013 12.361 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -6.339 -5.995 12.679 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -6.685 -5.260 10.278 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -4.973 -5.530 10.014 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -8.085 -7.032 10.690 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -7.606 -8.681 10.273 1.00 2.07 H new ATOM 202 N TYR A 13 -3.873 -2.348 12.880 1.00 0.37 N ATOM 203 CA TYR A 13 -2.692 -1.497 12.729 1.00 0.31 C ATOM 204 C TYR A 13 -1.366 -2.210 12.938 1.00 0.32 C ATOM 205 O TYR A 13 -0.326 -1.637 12.621 1.00 0.32 O ATOM 206 CB TYR A 13 -2.787 -0.292 13.674 1.00 0.35 C ATOM 207 CG TYR A 13 -3.073 -0.656 15.118 1.00 0.53 C ATOM 208 CD1 TYR A 13 -2.047 -1.034 15.975 1.00 0.70 C ATOM 209 CD2 TYR A 13 -4.368 -0.618 15.625 1.00 0.86 C ATOM 210 CE1 TYR A 13 -2.301 -1.360 17.293 1.00 0.98 C ATOM 211 CE2 TYR A 13 -4.628 -0.945 16.943 1.00 1.12 C ATOM 212 CZ TYR A 13 -3.607 -1.336 17.763 1.00 1.14 C ATOM 213 OH TYR A 13 -3.844 -1.635 19.084 1.00 1.44 O ATOM 0 H TYR A 13 -4.548 -1.976 13.548 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.696 -1.175 11.688 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -1.851 0.265 13.630 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -3.572 0.375 13.317 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -1.033 -1.074 15.604 1.00 0.70 H new ATOM 0 HD2 TYR A 13 -5.183 -0.328 14.979 1.00 0.86 H new ATOM 0 HE1 TYR A 13 -1.490 -1.631 17.953 1.00 0.98 H new ATOM 0 HE2 TYR A 13 -5.637 -0.891 17.324 1.00 1.12 H new ATOM 0 HH TYR A 13 -4.805 -1.576 19.265 1.00 1.44 H new ATOM 223 N GLY A 14 -1.389 -3.417 13.495 1.00 0.35 N ATOM 224 CA GLY A 14 -0.167 -4.187 13.627 1.00 0.38 C ATOM 225 C GLY A 14 0.645 -4.168 12.345 1.00 0.35 C ATOM 226 O GLY A 14 1.691 -3.526 12.273 1.00 0.36 O ATOM 0 H GLY A 14 -2.227 -3.873 13.855 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.432 -3.784 14.444 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.411 -5.217 13.889 1.00 0.38 H new ATOM 230 N ILE A 15 0.131 -4.791 11.295 1.00 0.37 N ATOM 231 CA ILE A 15 0.848 -4.812 10.031 1.00 0.40 C ATOM 232 C ILE A 15 0.854 -3.453 9.385 1.00 0.30 C ATOM 233 O ILE A 15 1.594 -3.224 8.447 1.00 0.29 O ATOM 234 CB ILE A 15 0.276 -5.801 8.998 1.00 0.54 C ATOM 235 CG1 ILE A 15 -1.254 -5.781 9.005 1.00 0.80 C ATOM 236 CG2 ILE A 15 0.825 -7.190 9.222 1.00 0.79 C ATOM 237 CD1 ILE A 15 -1.901 -6.728 10.002 1.00 0.75 C ATOM 0 H ILE A 15 -0.764 -5.280 11.292 1.00 0.37 H new ATOM 0 HA ILE A 15 1.854 -5.134 10.300 1.00 0.40 H new ATOM 0 HB ILE A 15 0.595 -5.482 8.006 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -1.589 -4.766 9.220 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -1.611 -6.029 8.005 1.00 0.80 H new ATOM 0 HG21 ILE A 15 0.407 -7.871 8.480 1.00 0.79 H new ATOM 0 HG22 ILE A 15 1.911 -7.172 9.126 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.555 -7.531 10.221 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.986 -6.643 9.933 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -1.602 -7.752 9.778 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -1.580 -6.469 11.011 1.00 0.75 H new ATOM 249 N ARG A 16 0.048 -2.553 9.896 1.00 0.25 N ATOM 250 CA ARG A 16 -0.121 -1.271 9.257 1.00 0.19 C ATOM 251 C ARG A 16 1.036 -0.356 9.604 1.00 0.20 C ATOM 252 O ARG A 16 1.552 0.351 8.748 1.00 0.22 O ATOM 253 CB ARG A 16 -1.436 -0.639 9.669 1.00 0.16 C ATOM 254 CG ARG A 16 -2.011 0.255 8.603 1.00 0.14 C ATOM 255 CD ARG A 16 -2.618 1.497 9.205 1.00 0.12 C ATOM 256 NE ARG A 16 -3.655 1.195 10.188 1.00 0.16 N ATOM 257 CZ ARG A 16 -4.020 2.013 11.175 1.00 0.25 C ATOM 258 NH1 ARG A 16 -3.467 3.211 11.290 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.945 1.633 12.047 1.00 0.31 N ATOM 0 H ARG A 16 -0.498 -2.684 10.748 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.136 -1.422 8.178 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.154 -1.425 9.904 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.286 -0.060 10.581 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.229 0.534 7.897 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.770 -0.288 8.039 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.834 2.087 9.679 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -3.043 2.111 8.411 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.133 0.297 10.114 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.758 3.512 10.621 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -3.750 3.833 12.047 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.378 0.713 11.963 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -5.223 2.260 12.802 1.00 0.31 H new ATOM 273 N ILE A 17 1.441 -0.378 10.869 1.00 0.22 N ATOM 274 CA ILE A 17 2.583 0.403 11.322 1.00 0.25 C ATOM 275 C ILE A 17 3.872 -0.352 11.042 1.00 0.29 C ATOM 276 O ILE A 17 4.931 0.249 10.862 1.00 0.31 O ATOM 277 CB ILE A 17 2.471 0.760 12.832 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.415 -0.494 13.719 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.242 1.618 13.077 1.00 0.30 C ATOM 280 CD1 ILE A 17 3.766 -0.959 14.221 1.00 0.56 C ATOM 0 H ILE A 17 0.993 -0.930 11.600 1.00 0.22 H new ATOM 0 HA ILE A 17 2.593 1.341 10.767 1.00 0.25 H new ATOM 0 HB ILE A 17 3.368 1.317 13.101 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.772 -0.291 14.575 1.00 0.35 H new ATOM 0 HG13 ILE A 17 1.951 -1.304 13.156 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.174 1.862 14.137 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.319 2.538 12.497 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.350 1.071 12.772 1.00 0.30 H new ATOM 0 HD11 ILE A 17 3.638 -1.848 14.839 1.00 0.56 H new ATOM 0 HD12 ILE A 17 4.408 -1.196 13.372 1.00 0.56 H new ATOM 0 HD13 ILE A 17 4.226 -0.168 14.814 1.00 0.56 H new ATOM 292 N LEU A 18 3.766 -1.675 11.003 1.00 0.32 N ATOM 293 CA LEU A 18 4.857 -2.513 10.545 1.00 0.37 C ATOM 294 C LEU A 18 5.176 -2.183 9.090 1.00 0.33 C ATOM 295 O LEU A 18 6.267 -1.719 8.776 1.00 0.32 O ATOM 296 CB LEU A 18 4.476 -3.983 10.716 1.00 0.44 C ATOM 297 CG LEU A 18 5.094 -4.961 9.719 1.00 0.49 C ATOM 298 CD1 LEU A 18 6.606 -5.038 9.873 1.00 0.53 C ATOM 299 CD2 LEU A 18 4.479 -6.333 9.899 1.00 0.58 C ATOM 0 H LEU A 18 2.931 -2.188 11.285 1.00 0.32 H new ATOM 0 HA LEU A 18 5.751 -2.324 11.138 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.758 -4.295 11.722 1.00 0.44 H new ATOM 0 HB3 LEU A 18 3.391 -4.066 10.649 1.00 0.44 H new ATOM 0 HG LEU A 18 4.883 -4.597 8.713 1.00 0.49 H new ATOM 0 HD11 LEU A 18 7.010 -5.744 9.147 1.00 0.53 H new ATOM 0 HD12 LEU A 18 7.040 -4.053 9.702 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.853 -5.373 10.881 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.923 -7.027 9.186 1.00 0.58 H new ATOM 0 HD22 LEU A 18 4.667 -6.686 10.913 1.00 0.58 H new ATOM 0 HD23 LEU A 18 3.404 -6.275 9.728 1.00 0.58 H new ATOM 311 N LEU A 19 4.190 -2.394 8.222 1.00 0.30 N ATOM 312 CA LEU A 19 4.282 -2.029 6.808 1.00 0.27 C ATOM 313 C LEU A 19 4.691 -0.572 6.668 1.00 0.22 C ATOM 314 O LEU A 19 5.518 -0.227 5.825 1.00 0.22 O ATOM 315 CB LEU A 19 2.910 -2.211 6.157 1.00 0.31 C ATOM 316 CG LEU A 19 2.815 -3.181 4.984 1.00 0.57 C ATOM 317 CD1 LEU A 19 3.330 -4.561 5.355 1.00 1.23 C ATOM 318 CD2 LEU A 19 1.371 -3.261 4.520 1.00 1.15 C ATOM 0 H LEU A 19 3.301 -2.824 8.479 1.00 0.30 H new ATOM 0 HA LEU A 19 5.025 -2.664 6.325 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.213 -2.543 6.926 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.566 -1.234 5.816 1.00 0.31 H new ATOM 0 HG LEU A 19 3.443 -2.809 4.175 1.00 0.57 H new ATOM 0 HD11 LEU A 19 3.246 -5.224 4.494 1.00 1.23 H new ATOM 0 HD12 LEU A 19 4.375 -4.490 5.658 1.00 1.23 H new ATOM 0 HD13 LEU A 19 2.739 -4.960 6.179 1.00 1.23 H new ATOM 0 HD21 LEU A 19 1.296 -3.953 3.681 1.00 1.15 H new ATOM 0 HD22 LEU A 19 0.745 -3.614 5.339 1.00 1.15 H new ATOM 0 HD23 LEU A 19 1.034 -2.273 4.206 1.00 1.15 H new ATOM 330 N ASN A 20 4.098 0.266 7.512 1.00 0.20 N ATOM 331 CA ASN A 20 4.412 1.687 7.555 1.00 0.19 C ATOM 332 C ASN A 20 5.913 1.878 7.667 1.00 0.21 C ATOM 333 O ASN A 20 6.554 2.257 6.702 1.00 0.22 O ATOM 334 CB ASN A 20 3.709 2.340 8.751 1.00 0.23 C ATOM 335 CG ASN A 20 3.805 3.852 8.767 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.948 4.542 8.218 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.830 4.376 9.410 1.00 0.50 N ATOM 0 H ASN A 20 3.387 -0.022 8.184 1.00 0.20 H new ATOM 0 HA ASN A 20 4.061 2.159 6.637 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.658 2.052 8.744 1.00 0.23 H new ATOM 0 HB3 ASN A 20 4.140 1.948 9.672 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.933 5.389 9.465 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.519 3.768 9.852 1.00 0.50 H new ATOM 344 N GLU A 21 6.467 1.551 8.829 1.00 0.24 N ATOM 345 CA GLU A 21 7.900 1.714 9.084 1.00 0.29 C ATOM 346 C GLU A 21 8.747 0.986 8.035 1.00 0.29 C ATOM 347 O GLU A 21 9.784 1.499 7.607 1.00 0.31 O ATOM 348 CB GLU A 21 8.244 1.173 10.478 1.00 0.35 C ATOM 349 CG GLU A 21 9.639 1.537 10.961 1.00 0.92 C ATOM 350 CD GLU A 21 9.731 2.961 11.466 1.00 1.79 C ATOM 351 OE1 GLU A 21 9.621 3.898 10.653 1.00 2.46 O ATOM 352 OE2 GLU A 21 9.900 3.149 12.690 1.00 2.40 O ATOM 0 H GLU A 21 5.944 1.168 9.617 1.00 0.24 H new ATOM 0 HA GLU A 21 8.128 2.778 9.028 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.514 1.552 11.193 1.00 0.35 H new ATOM 0 HB3 GLU A 21 8.147 0.087 10.468 1.00 0.35 H new ATOM 0 HG2 GLU A 21 9.933 0.854 11.758 1.00 0.92 H new ATOM 0 HG3 GLU A 21 10.349 1.399 10.145 1.00 0.92 H new ATOM 359 N VAL A 22 8.301 -0.204 7.627 1.00 0.28 N ATOM 360 CA VAL A 22 9.030 -1.006 6.646 1.00 0.30 C ATOM 361 C VAL A 22 9.273 -0.222 5.360 1.00 0.28 C ATOM 362 O VAL A 22 10.421 0.028 4.996 1.00 0.34 O ATOM 363 CB VAL A 22 8.307 -2.341 6.333 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.867 -2.989 5.076 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.449 -3.300 7.502 1.00 0.37 C ATOM 0 H VAL A 22 7.438 -0.632 7.962 1.00 0.28 H new ATOM 0 HA VAL A 22 9.994 -1.247 7.093 1.00 0.30 H new ATOM 0 HB VAL A 22 7.253 -2.118 6.168 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.340 -3.923 4.883 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.734 -2.315 4.229 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.929 -3.193 5.214 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.937 -4.234 7.271 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.505 -3.500 7.682 1.00 0.37 H new ATOM 0 HG23 VAL A 22 8.007 -2.855 8.393 1.00 0.37 H new ATOM 375 N PHE A 23 8.203 0.198 4.692 1.00 0.23 N ATOM 376 CA PHE A 23 8.348 0.931 3.443 1.00 0.22 C ATOM 377 C PHE A 23 8.854 2.319 3.732 1.00 0.21 C ATOM 378 O PHE A 23 9.619 2.887 2.955 1.00 0.23 O ATOM 379 CB PHE A 23 7.026 1.062 2.701 1.00 0.21 C ATOM 380 CG PHE A 23 6.232 -0.202 2.604 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.860 -1.389 2.272 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.873 -0.213 2.852 1.00 0.27 C ATOM 383 CE1 PHE A 23 6.148 -2.561 2.187 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.155 -1.385 2.768 1.00 0.35 C ATOM 385 CZ PHE A 23 4.733 -2.519 2.412 1.00 0.41 C ATOM 0 H PHE A 23 7.240 0.045 4.991 1.00 0.23 H new ATOM 0 HA PHE A 23 9.048 0.373 2.821 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.419 1.818 3.199 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.226 1.427 1.694 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.922 -1.395 2.077 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.369 0.706 3.114 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.643 -3.493 1.956 1.00 0.43 H new ATOM 0 HE2 PHE A 23 3.100 -1.377 2.997 1.00 0.35 H new ATOM 0 HZ PHE A 23 4.140 -3.413 2.291 1.00 0.41 H new ATOM 395 N ASN A 24 8.417 2.856 4.859 1.00 0.19 N ATOM 396 CA ASN A 24 8.706 4.223 5.218 1.00 0.19 C ATOM 397 C ASN A 24 10.201 4.464 5.121 1.00 0.24 C ATOM 398 O ASN A 24 10.668 5.396 4.462 1.00 0.24 O ATOM 399 CB ASN A 24 8.177 4.527 6.631 1.00 0.21 C ATOM 400 CG ASN A 24 7.861 5.993 6.802 1.00 0.23 C ATOM 401 OD1 ASN A 24 6.614 6.342 6.524 1.00 0.28 O flip ATOM 402 ND2 ASN A 24 8.714 6.796 7.184 1.00 0.26 N flip ATOM 0 H ASN A 24 7.854 2.353 5.545 1.00 0.19 H new ATOM 0 HA ASN A 24 8.202 4.898 4.527 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.280 3.936 6.819 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.919 4.225 7.371 1.00 0.21 H new ATOM 0 HD21 ASN A 24 9.661 6.476 7.385 1.00 0.26 H new ATOM 0 HD22 ASN A 24 8.473 7.780 7.299 1.00 0.26 H new ATOM 409 N LYS A 25 10.925 3.542 5.724 1.00 0.32 N ATOM 410 CA LYS A 25 12.383 3.557 5.775 1.00 0.41 C ATOM 411 C LYS A 25 13.019 3.408 4.381 1.00 0.41 C ATOM 412 O LYS A 25 14.091 3.958 4.126 1.00 0.47 O ATOM 413 CB LYS A 25 12.847 2.441 6.721 1.00 0.51 C ATOM 414 CG LYS A 25 14.336 2.166 6.710 1.00 0.59 C ATOM 415 CD LYS A 25 14.622 0.946 5.863 1.00 1.02 C ATOM 416 CE LYS A 25 14.139 -0.328 6.539 1.00 2.32 C ATOM 417 NZ LYS A 25 14.125 -1.476 5.598 1.00 3.25 N ATOM 0 H LYS A 25 10.512 2.742 6.204 1.00 0.32 H new ATOM 0 HA LYS A 25 12.713 4.525 6.151 1.00 0.41 H new ATOM 0 HB2 LYS A 25 12.549 2.700 7.737 1.00 0.51 H new ATOM 0 HB3 LYS A 25 12.322 1.522 6.459 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.872 3.029 6.315 1.00 0.59 H new ATOM 0 HG3 LYS A 25 14.694 2.007 7.727 1.00 0.59 H new ATOM 0 HD2 LYS A 25 14.134 1.052 4.894 1.00 1.02 H new ATOM 0 HD3 LYS A 25 15.693 0.876 5.675 1.00 1.02 H new ATOM 0 HE2 LYS A 25 14.786 -0.559 7.385 1.00 2.32 H new ATOM 0 HE3 LYS A 25 13.137 -0.171 6.937 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 14.023 -2.362 6.133 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 13.326 -1.376 4.940 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 15.016 -1.496 5.061 1.00 3.25 H new ATOM 431 N GLU A 26 12.358 2.677 3.478 1.00 0.42 N ATOM 432 CA GLU A 26 12.862 2.502 2.107 1.00 0.53 C ATOM 433 C GLU A 26 12.899 3.829 1.389 1.00 0.45 C ATOM 434 O GLU A 26 13.632 4.018 0.422 1.00 0.66 O ATOM 435 CB GLU A 26 11.960 1.607 1.281 1.00 0.91 C ATOM 436 CG GLU A 26 11.415 0.440 2.027 1.00 0.40 C ATOM 437 CD GLU A 26 12.482 -0.577 2.371 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.950 -1.283 1.462 1.00 1.43 O ATOM 439 OE2 GLU A 26 12.843 -0.682 3.565 1.00 1.45 O ATOM 0 H GLU A 26 11.477 2.198 3.667 1.00 0.42 H new ATOM 0 HA GLU A 26 13.853 2.059 2.203 1.00 0.53 H new ATOM 0 HB2 GLU A 26 11.129 2.200 0.898 1.00 0.91 H new ATOM 0 HB3 GLU A 26 12.518 1.245 0.417 1.00 0.91 H new ATOM 0 HG2 GLU A 26 10.941 0.789 2.944 1.00 0.40 H new ATOM 0 HG3 GLU A 26 10.640 -0.039 1.429 1.00 0.40 H new ATOM 446 N GLY A 27 12.051 4.720 1.848 1.00 0.38 N ATOM 447 CA GLY A 27 11.830 5.961 1.164 1.00 0.44 C ATOM 448 C GLY A 27 10.389 6.363 1.251 1.00 0.37 C ATOM 449 O GLY A 27 10.036 7.520 1.032 1.00 0.44 O ATOM 0 H GLY A 27 11.502 4.602 2.699 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.457 6.739 1.600 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.123 5.863 0.119 1.00 0.44 H new ATOM 453 N TYR A 28 9.552 5.409 1.605 1.00 0.26 N ATOM 454 CA TYR A 28 8.137 5.548 1.363 1.00 0.24 C ATOM 455 C TYR A 28 7.476 6.381 2.431 1.00 0.24 C ATOM 456 O TYR A 28 7.590 6.103 3.612 1.00 0.41 O ATOM 457 CB TYR A 28 7.507 4.168 1.283 1.00 0.25 C ATOM 458 CG TYR A 28 7.971 3.371 0.076 1.00 0.40 C ATOM 459 CD1 TYR A 28 9.294 2.986 -0.081 1.00 0.57 C ATOM 460 CD2 TYR A 28 7.067 2.993 -0.905 1.00 0.58 C ATOM 461 CE1 TYR A 28 9.699 2.252 -1.181 1.00 0.77 C ATOM 462 CE2 TYR A 28 7.461 2.263 -2.002 1.00 0.78 C ATOM 463 CZ TYR A 28 8.866 1.937 -2.127 1.00 0.87 C ATOM 464 OH TYR A 28 9.154 1.161 -3.223 1.00 1.07 O ATOM 0 H TYR A 28 9.827 4.537 2.057 1.00 0.26 H new ATOM 0 HA TYR A 28 7.990 6.068 0.416 1.00 0.24 H new ATOM 0 HB2 TYR A 28 7.745 3.613 2.191 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.423 4.272 1.248 1.00 0.25 H new ATOM 0 HD1 TYR A 28 10.020 3.264 0.668 1.00 0.57 H new ATOM 0 HD2 TYR A 28 6.030 3.278 -0.805 1.00 0.58 H new ATOM 0 HE1 TYR A 28 10.729 1.934 -1.255 1.00 0.77 H new ATOM 0 HE2 TYR A 28 6.746 1.944 -2.746 1.00 0.78 H new ATOM 0 HH TYR A 28 8.495 1.333 -3.928 1.00 1.07 H new ATOM 474 N GLN A 29 6.810 7.430 2.021 1.00 0.17 N ATOM 475 CA GLN A 29 6.016 8.192 2.944 1.00 0.16 C ATOM 476 C GLN A 29 4.715 7.469 3.163 1.00 0.12 C ATOM 477 O GLN A 29 3.714 7.748 2.515 1.00 0.13 O ATOM 478 CB GLN A 29 5.768 9.584 2.406 1.00 0.24 C ATOM 479 CG GLN A 29 7.047 10.337 2.105 1.00 0.30 C ATOM 480 CD GLN A 29 6.871 11.333 0.987 1.00 0.53 C ATOM 481 OE1 GLN A 29 6.507 12.489 1.207 1.00 1.14 O ATOM 482 NE2 GLN A 29 7.132 10.889 -0.226 1.00 0.53 N ATOM 0 H GLN A 29 6.803 7.773 1.060 1.00 0.17 H new ATOM 0 HA GLN A 29 6.545 8.293 3.892 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.170 9.515 1.497 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.182 10.149 3.131 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.381 10.857 3.003 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.830 9.628 1.838 1.00 0.30 H new ATOM 0 HE21 GLN A 29 7.431 9.923 -0.362 1.00 0.53 H new ATOM 0 HE22 GLN A 29 7.035 11.511 -1.029 1.00 0.53 H new ATOM 491 N THR A 30 4.746 6.502 4.043 1.00 0.11 N ATOM 492 CA THR A 30 3.600 5.663 4.244 1.00 0.10 C ATOM 493 C THR A 30 2.709 6.254 5.321 1.00 0.10 C ATOM 494 O THR A 30 3.195 6.721 6.354 1.00 0.14 O ATOM 495 CB THR A 30 4.034 4.252 4.647 1.00 0.11 C ATOM 496 OG1 THR A 30 4.512 4.259 5.991 1.00 0.14 O ATOM 497 CG2 THR A 30 5.151 3.741 3.756 1.00 0.12 C ATOM 0 H THR A 30 5.551 6.279 4.629 1.00 0.11 H new ATOM 0 HA THR A 30 3.044 5.604 3.309 1.00 0.10 H new ATOM 0 HB THR A 30 3.166 3.601 4.546 1.00 0.11 H new ATOM 0 HG1 THR A 30 5.203 4.947 6.089 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.436 2.737 4.069 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.808 3.715 2.722 1.00 0.12 H new ATOM 0 HG23 THR A 30 6.013 4.404 3.836 1.00 0.12 H new ATOM 505 N PHE A 31 1.411 6.261 5.075 1.00 0.09 N ATOM 506 CA PHE A 31 0.473 6.777 6.028 1.00 0.09 C ATOM 507 C PHE A 31 -0.568 5.739 6.308 1.00 0.10 C ATOM 508 O PHE A 31 -1.192 5.174 5.413 1.00 0.19 O ATOM 509 CB PHE A 31 -0.150 8.086 5.574 1.00 0.11 C ATOM 510 CG PHE A 31 0.684 9.285 5.934 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.881 9.529 5.281 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.261 10.180 6.907 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.643 10.638 5.593 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.020 11.289 7.225 1.00 0.34 C ATOM 515 CZ PHE A 31 2.236 11.482 6.632 1.00 0.30 C ATOM 0 H PHE A 31 0.991 5.910 4.214 1.00 0.09 H new ATOM 0 HA PHE A 31 1.009 7.005 6.950 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.293 8.060 4.494 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.138 8.188 6.024 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.222 8.844 4.519 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.673 10.007 7.421 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.545 10.852 5.040 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.652 12.006 7.944 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.880 12.283 6.964 1.00 0.30 H new ATOM 525 N GLN A 32 -0.700 5.484 7.565 1.00 0.12 N ATOM 526 CA GLN A 32 -1.504 4.411 8.071 1.00 0.10 C ATOM 527 C GLN A 32 -2.970 4.843 8.244 1.00 0.09 C ATOM 528 O GLN A 32 -3.269 5.771 8.991 1.00 0.12 O ATOM 529 CB GLN A 32 -0.883 3.986 9.399 1.00 0.12 C ATOM 530 CG GLN A 32 -0.251 5.142 10.154 1.00 0.14 C ATOM 531 CD GLN A 32 0.484 4.697 11.397 1.00 0.18 C ATOM 532 OE1 GLN A 32 1.765 4.398 11.241 1.00 0.22 O flip ATOM 533 NE2 GLN A 32 -0.091 4.620 12.480 1.00 0.19 N flip ATOM 0 H GLN A 32 -0.240 6.029 8.295 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.520 3.576 7.371 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.650 3.528 10.023 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.127 3.224 9.213 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.442 5.665 9.495 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -1.026 5.856 10.432 1.00 0.14 H new ATOM 0 HE21 GLN A 32 -1.080 4.861 12.551 1.00 0.19 H new ATOM 0 HE22 GLN A 32 0.420 4.315 13.308 1.00 0.19 H new ATOM 542 N ALA A 33 -3.867 4.150 7.556 1.00 0.09 N ATOM 543 CA ALA A 33 -5.306 4.404 7.642 1.00 0.08 C ATOM 544 C ALA A 33 -6.021 3.131 8.052 1.00 0.11 C ATOM 545 O ALA A 33 -5.857 2.103 7.420 1.00 0.23 O ATOM 546 CB ALA A 33 -5.848 4.898 6.302 1.00 0.10 C ATOM 0 H ALA A 33 -3.620 3.392 6.919 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.482 5.178 8.389 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.919 5.081 6.388 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.343 5.823 6.024 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.669 4.143 5.536 1.00 0.10 H new ATOM 552 N ALA A 34 -6.791 3.187 9.122 1.00 0.09 N ATOM 553 CA ALA A 34 -7.543 2.019 9.560 1.00 0.10 C ATOM 554 C ALA A 34 -8.741 1.772 8.658 1.00 0.12 C ATOM 555 O ALA A 34 -9.290 0.673 8.625 1.00 0.18 O ATOM 556 CB ALA A 34 -8.006 2.183 10.996 1.00 0.14 C ATOM 0 H ALA A 34 -6.914 4.018 9.701 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.878 1.158 9.500 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.565 1.299 11.301 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -7.140 2.306 11.646 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.646 3.062 11.074 1.00 0.14 H new ATOM 562 N ASN A 35 -9.138 2.795 7.922 1.00 0.10 N ATOM 563 CA ASN A 35 -10.337 2.713 7.111 1.00 0.13 C ATOM 564 C ASN A 35 -10.218 3.553 5.853 1.00 0.10 C ATOM 565 O ASN A 35 -9.309 4.363 5.724 1.00 0.08 O ATOM 566 CB ASN A 35 -11.563 3.115 7.940 1.00 0.17 C ATOM 567 CG ASN A 35 -11.291 4.316 8.824 1.00 0.20 C ATOM 568 OD1 ASN A 35 -11.677 5.493 8.374 1.00 0.29 O flip ATOM 569 ND2 ASN A 35 -10.766 4.179 9.928 1.00 0.19 N flip ATOM 0 H ASN A 35 -8.649 3.689 7.870 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.463 1.679 6.790 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.393 3.340 7.271 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.872 2.273 8.560 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -10.479 3.253 10.245 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -10.617 4.992 10.526 1.00 0.19 H new ATOM 576 N GLY A 36 -11.160 3.360 4.937 1.00 0.12 N ATOM 577 CA GLY A 36 -11.096 3.995 3.631 1.00 0.14 C ATOM 578 C GLY A 36 -11.440 5.460 3.663 1.00 0.11 C ATOM 579 O GLY A 36 -11.181 6.189 2.710 1.00 0.13 O ATOM 0 H GLY A 36 -11.978 2.767 5.078 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.092 3.874 3.225 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -11.779 3.483 2.952 1.00 0.14 H new ATOM 583 N LEU A 37 -12.019 5.891 4.757 1.00 0.11 N ATOM 584 CA LEU A 37 -12.313 7.298 4.961 1.00 0.13 C ATOM 585 C LEU A 37 -11.066 7.976 5.395 1.00 0.10 C ATOM 586 O LEU A 37 -10.703 9.057 4.932 1.00 0.11 O ATOM 587 CB LEU A 37 -13.296 7.476 6.086 1.00 0.17 C ATOM 588 CG LEU A 37 -14.743 7.041 5.826 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.234 7.601 4.505 1.00 0.27 C ATOM 590 CD2 LEU A 37 -14.878 5.526 5.855 1.00 0.28 C ATOM 0 H LEU A 37 -12.300 5.286 5.529 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.715 7.705 4.033 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -12.926 6.922 6.949 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.305 8.530 6.364 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.365 7.443 6.626 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.263 7.283 4.335 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.190 8.690 4.533 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.602 7.233 3.697 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -15.916 5.250 5.667 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.241 5.089 5.086 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.574 5.152 6.833 1.00 0.28 H new ATOM 602 N GLN A 38 -10.424 7.295 6.309 1.00 0.10 N ATOM 603 CA GLN A 38 -9.170 7.711 6.827 1.00 0.11 C ATOM 604 C GLN A 38 -8.239 7.737 5.655 1.00 0.10 C ATOM 605 O GLN A 38 -7.497 8.677 5.460 1.00 0.15 O ATOM 606 CB GLN A 38 -8.724 6.697 7.877 1.00 0.19 C ATOM 607 CG GLN A 38 -7.433 7.035 8.572 1.00 0.36 C ATOM 608 CD GLN A 38 -7.615 8.027 9.689 1.00 0.67 C ATOM 609 OE1 GLN A 38 -7.549 9.237 9.488 1.00 0.99 O ATOM 610 NE2 GLN A 38 -7.828 7.516 10.882 1.00 1.29 N ATOM 0 H GLN A 38 -10.772 6.425 6.712 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.202 8.690 7.306 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.510 6.602 8.626 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -8.619 5.723 7.399 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -6.991 6.122 8.971 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.729 7.439 7.845 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -7.875 6.504 11.002 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -7.946 8.131 11.687 1.00 1.29 H new ATOM 619 N ALA A 39 -8.398 6.716 4.825 1.00 0.10 N ATOM 620 CA ALA A 39 -7.615 6.560 3.622 1.00 0.12 C ATOM 621 C ALA A 39 -7.867 7.698 2.650 1.00 0.11 C ATOM 622 O ALA A 39 -6.935 8.241 2.064 1.00 0.13 O ATOM 623 CB ALA A 39 -7.907 5.230 2.954 1.00 0.14 C ATOM 0 H ALA A 39 -9.080 5.972 4.974 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.564 6.582 3.911 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.305 5.137 2.050 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.662 4.418 3.638 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -8.964 5.178 2.693 1.00 0.14 H new ATOM 629 N LEU A 40 -9.139 8.047 2.480 1.00 0.11 N ATOM 630 CA LEU A 40 -9.526 9.167 1.645 1.00 0.12 C ATOM 631 C LEU A 40 -8.808 10.413 2.125 1.00 0.13 C ATOM 632 O LEU A 40 -8.258 11.186 1.337 1.00 0.17 O ATOM 633 CB LEU A 40 -11.044 9.368 1.727 1.00 0.13 C ATOM 634 CG LEU A 40 -11.708 9.826 0.426 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.405 11.292 0.146 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.243 8.962 -0.737 1.00 0.19 C ATOM 0 H LEU A 40 -9.922 7.561 2.917 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.253 8.969 0.608 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.503 8.430 2.041 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.257 10.103 2.504 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.787 9.716 0.539 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.888 11.592 -0.784 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.782 11.904 0.965 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.328 11.430 0.056 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.723 9.299 -1.656 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.161 9.044 -0.842 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.511 7.923 -0.548 1.00 0.19 H new ATOM 648 N ASP A 41 -8.791 10.564 3.437 1.00 0.12 N ATOM 649 CA ASP A 41 -8.105 11.663 4.075 1.00 0.13 C ATOM 650 C ASP A 41 -6.604 11.577 3.824 1.00 0.09 C ATOM 651 O ASP A 41 -5.958 12.583 3.536 1.00 0.11 O ATOM 652 CB ASP A 41 -8.397 11.646 5.570 1.00 0.20 C ATOM 653 CG ASP A 41 -7.547 12.632 6.345 1.00 0.72 C ATOM 654 OD1 ASP A 41 -7.788 13.851 6.228 1.00 0.87 O ATOM 655 OD2 ASP A 41 -6.630 12.193 7.077 1.00 1.32 O ATOM 0 H ASP A 41 -9.253 9.927 4.086 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.465 12.600 3.651 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.450 11.875 5.733 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.225 10.642 5.958 1.00 0.20 H new ATOM 660 N ILE A 42 -6.046 10.373 3.911 1.00 0.10 N ATOM 661 CA ILE A 42 -4.635 10.191 3.673 1.00 0.10 C ATOM 662 C ILE A 42 -4.261 10.611 2.259 1.00 0.10 C ATOM 663 O ILE A 42 -3.294 11.331 2.060 1.00 0.13 O ATOM 664 CB ILE A 42 -4.202 8.742 3.823 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.853 8.044 5.015 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.694 8.683 3.926 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.506 8.594 6.377 1.00 0.12 C ATOM 0 H ILE A 42 -6.554 9.519 4.144 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.134 10.808 4.418 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.539 8.202 2.938 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.935 8.091 4.891 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.575 6.990 4.989 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.377 7.646 4.034 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.251 9.106 3.024 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.366 9.255 4.794 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -5.026 8.020 7.144 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.430 8.521 6.536 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.811 9.639 6.436 1.00 0.12 H new ATOM 679 N VAL A 43 -5.016 10.134 1.273 1.00 0.11 N ATOM 680 CA VAL A 43 -4.750 10.486 -0.119 1.00 0.12 C ATOM 681 C VAL A 43 -4.806 11.985 -0.291 1.00 0.12 C ATOM 682 O VAL A 43 -3.984 12.585 -0.964 1.00 0.15 O ATOM 683 CB VAL A 43 -5.766 9.864 -1.092 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.397 10.195 -2.531 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.859 8.368 -0.894 1.00 0.15 C ATOM 0 H VAL A 43 -5.810 9.508 1.410 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.760 10.095 -0.352 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.746 10.292 -0.880 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -6.126 9.747 -3.206 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.394 11.277 -2.666 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.406 9.799 -2.753 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.584 7.953 -1.594 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.883 7.916 -1.072 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -6.177 8.155 0.127 1.00 0.15 H new ATOM 695 N THR A 44 -5.778 12.582 0.344 1.00 0.12 N ATOM 696 CA THR A 44 -5.979 14.001 0.252 1.00 0.15 C ATOM 697 C THR A 44 -4.868 14.767 0.988 1.00 0.14 C ATOM 698 O THR A 44 -4.574 15.917 0.657 1.00 0.16 O ATOM 699 CB THR A 44 -7.372 14.331 0.807 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.094 15.153 -0.121 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.314 15.017 2.167 1.00 0.19 C ATOM 0 H THR A 44 -6.451 12.099 0.938 1.00 0.12 H new ATOM 0 HA THR A 44 -5.928 14.318 -0.790 1.00 0.15 H new ATOM 0 HB THR A 44 -7.891 13.382 0.943 1.00 0.23 H new ATOM 0 HG1 THR A 44 -8.981 15.355 0.243 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.326 15.227 2.512 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.815 14.364 2.883 1.00 0.19 H new ATOM 0 HG23 THR A 44 -6.759 15.951 2.080 1.00 0.19 H new ATOM 709 N LYS A 45 -4.228 14.113 1.958 1.00 0.13 N ATOM 710 CA LYS A 45 -3.204 14.748 2.756 1.00 0.14 C ATOM 711 C LYS A 45 -1.810 14.545 2.139 1.00 0.13 C ATOM 712 O LYS A 45 -1.006 15.477 2.081 1.00 0.15 O ATOM 713 CB LYS A 45 -3.285 14.191 4.186 1.00 0.19 C ATOM 714 CG LYS A 45 -2.333 13.051 4.490 1.00 0.39 C ATOM 715 CD LYS A 45 -2.334 12.716 5.970 1.00 1.12 C ATOM 716 CE LYS A 45 -3.642 12.059 6.358 1.00 1.54 C ATOM 717 NZ LYS A 45 -3.812 11.938 7.827 1.00 2.42 N ATOM 0 H LYS A 45 -4.409 13.140 2.203 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.371 15.825 2.782 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.090 15.003 4.887 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.304 13.851 4.369 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.620 12.171 3.915 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.325 13.322 4.176 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -1.502 12.050 6.200 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -2.187 13.624 6.556 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -4.470 12.638 5.948 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -3.693 11.067 5.908 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -4.823 11.995 8.065 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -3.432 11.024 8.146 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -3.300 12.710 8.300 1.00 2.42 H new ATOM 731 N GLU A 46 -1.538 13.332 1.664 1.00 0.13 N ATOM 732 CA GLU A 46 -0.237 12.985 1.114 1.00 0.13 C ATOM 733 C GLU A 46 -0.297 12.743 -0.382 1.00 0.13 C ATOM 734 O GLU A 46 0.609 13.137 -1.114 1.00 0.16 O ATOM 735 CB GLU A 46 0.290 11.730 1.809 1.00 0.13 C ATOM 736 CG GLU A 46 0.769 12.006 3.217 1.00 0.19 C ATOM 737 CD GLU A 46 1.735 13.172 3.274 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.767 13.132 2.571 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.459 14.143 4.006 1.00 0.63 O ATOM 0 H GLU A 46 -2.213 12.567 1.651 1.00 0.13 H new ATOM 0 HA GLU A 46 0.432 13.828 1.288 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.497 10.977 1.838 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.110 11.312 1.225 1.00 0.13 H new ATOM 0 HG2 GLU A 46 -0.089 12.215 3.856 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.254 11.115 3.615 1.00 0.19 H new ATOM 746 N ARG A 47 -1.382 12.117 -0.820 1.00 0.13 N ATOM 747 CA ARG A 47 -1.499 11.598 -2.182 1.00 0.15 C ATOM 748 C ARG A 47 -0.484 10.488 -2.398 1.00 0.12 C ATOM 749 O ARG A 47 0.451 10.649 -3.181 1.00 0.15 O ATOM 750 CB ARG A 47 -1.295 12.677 -3.260 1.00 0.20 C ATOM 751 CG ARG A 47 -2.429 13.677 -3.415 1.00 0.73 C ATOM 752 CD ARG A 47 -2.324 14.818 -2.419 1.00 1.00 C ATOM 753 NE ARG A 47 -2.773 16.078 -3.005 1.00 1.88 N ATOM 754 CZ ARG A 47 -2.858 17.227 -2.344 1.00 2.63 C ATOM 755 NH1 ARG A 47 -2.621 17.276 -1.037 1.00 2.81 N ATOM 756 NH2 ARG A 47 -3.198 18.329 -2.996 1.00 3.66 N ATOM 0 H ARG A 47 -2.207 11.953 -0.243 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.517 11.222 -2.285 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.381 13.225 -3.031 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.138 12.182 -4.218 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -2.421 14.079 -4.428 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -3.383 13.166 -3.282 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.924 14.590 -1.538 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -1.291 14.918 -2.085 1.00 1.00 H new ATOM 0 HE ARG A 47 -3.040 16.076 -3.990 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -2.371 16.426 -0.532 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -2.689 18.164 -0.539 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -3.392 18.290 -3.997 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -3.266 19.216 -2.497 1.00 3.66 H new ATOM 770 N PRO A 48 -0.608 9.363 -1.669 1.00 0.11 N ATOM 771 CA PRO A 48 0.302 8.226 -1.850 1.00 0.11 C ATOM 772 C PRO A 48 0.193 7.647 -3.239 1.00 0.12 C ATOM 773 O PRO A 48 -0.810 7.842 -3.919 1.00 0.21 O ATOM 774 CB PRO A 48 -0.178 7.209 -0.806 1.00 0.14 C ATOM 775 CG PRO A 48 -0.862 8.064 0.209 1.00 0.15 C ATOM 776 CD PRO A 48 -1.598 9.098 -0.598 1.00 0.14 C ATOM 0 HA PRO A 48 1.348 8.509 -1.728 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.858 6.476 -1.240 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.654 6.654 -0.371 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.547 7.479 0.823 1.00 0.15 H new ATOM 0 HG3 PRO A 48 -0.144 8.527 0.886 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.542 8.722 -0.991 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.828 9.991 -0.016 1.00 0.14 H new ATOM 784 N ASP A 49 1.221 6.956 -3.680 1.00 0.11 N ATOM 785 CA ASP A 49 1.113 6.228 -4.919 1.00 0.14 C ATOM 786 C ASP A 49 0.497 4.893 -4.601 1.00 0.13 C ATOM 787 O ASP A 49 -0.507 4.504 -5.180 1.00 0.19 O ATOM 788 CB ASP A 49 2.456 5.983 -5.601 1.00 0.25 C ATOM 789 CG ASP A 49 3.471 7.107 -5.469 1.00 0.65 C ATOM 790 OD1 ASP A 49 3.893 7.409 -4.330 1.00 0.98 O ATOM 791 OD2 ASP A 49 3.897 7.646 -6.514 1.00 0.94 O ATOM 0 H ASP A 49 2.123 6.884 -3.209 1.00 0.11 H new ATOM 0 HA ASP A 49 0.513 6.825 -5.606 1.00 0.14 H new ATOM 0 HB2 ASP A 49 2.892 5.073 -5.190 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.278 5.800 -6.661 1.00 0.25 H new ATOM 796 N LEU A 50 1.085 4.233 -3.618 1.00 0.12 N ATOM 797 CA LEU A 50 0.754 2.856 -3.297 1.00 0.12 C ATOM 798 C LEU A 50 -0.086 2.785 -2.034 1.00 0.11 C ATOM 799 O LEU A 50 0.391 3.073 -0.937 1.00 0.12 O ATOM 800 CB LEU A 50 2.031 2.035 -3.101 1.00 0.13 C ATOM 801 CG LEU A 50 2.811 1.688 -4.372 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.608 2.882 -4.865 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.730 0.505 -4.126 1.00 0.20 C ATOM 0 H LEU A 50 1.806 4.637 -3.020 1.00 0.12 H new ATOM 0 HA LEU A 50 0.181 2.445 -4.128 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.693 2.585 -2.432 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.767 1.106 -2.596 1.00 0.13 H new ATOM 0 HG LEU A 50 2.092 1.417 -5.145 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.152 2.608 -5.769 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.930 3.706 -5.086 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.315 3.191 -4.095 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.276 0.272 -5.040 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.437 0.752 -3.334 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.138 -0.360 -3.827 1.00 0.20 H new ATOM 815 N VAL A 51 -1.336 2.404 -2.188 1.00 0.10 N ATOM 816 CA VAL A 51 -2.230 2.295 -1.053 1.00 0.10 C ATOM 817 C VAL A 51 -2.605 0.851 -0.780 1.00 0.10 C ATOM 818 O VAL A 51 -3.362 0.253 -1.526 1.00 0.13 O ATOM 819 CB VAL A 51 -3.515 3.100 -1.274 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.410 2.998 -0.052 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.186 4.545 -1.605 1.00 0.16 C ATOM 0 H VAL A 51 -1.757 2.165 -3.086 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.692 2.698 -0.195 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.056 2.683 -2.123 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.321 3.573 -0.219 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.668 1.954 0.124 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.885 3.394 0.818 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.110 5.102 -1.759 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.627 4.989 -0.781 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.584 4.582 -2.513 1.00 0.16 H new ATOM 831 N LEU A 52 -2.088 0.294 0.294 1.00 0.11 N ATOM 832 CA LEU A 52 -2.413 -1.071 0.665 1.00 0.11 C ATOM 833 C LEU A 52 -3.799 -1.114 1.261 1.00 0.11 C ATOM 834 O LEU A 52 -3.992 -0.943 2.457 1.00 0.13 O ATOM 835 CB LEU A 52 -1.365 -1.627 1.620 1.00 0.11 C ATOM 836 CG LEU A 52 0.054 -1.477 1.074 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.793 -0.365 1.800 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.816 -2.791 1.166 1.00 0.15 C ATOM 0 H LEU A 52 -1.441 0.763 0.927 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.406 -1.704 -0.222 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.440 -1.112 2.578 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.570 -2.681 1.808 1.00 0.11 H new ATOM 0 HG LEU A 52 -0.014 -1.206 0.020 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.801 -0.274 1.396 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.261 0.576 1.662 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.847 -0.598 2.863 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.823 -2.656 0.771 1.00 0.15 H new ATOM 0 HD22 LEU A 52 0.874 -3.106 2.208 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.297 -3.554 0.585 1.00 0.15 H new ATOM 850 N LEU A 53 -4.755 -1.297 0.380 1.00 0.16 N ATOM 851 CA LEU A 53 -6.155 -1.215 0.719 1.00 0.20 C ATOM 852 C LEU A 53 -6.653 -2.514 1.317 1.00 0.20 C ATOM 853 O LEU A 53 -6.764 -3.510 0.620 1.00 0.19 O ATOM 854 CB LEU A 53 -6.961 -0.928 -0.539 1.00 0.30 C ATOM 855 CG LEU A 53 -8.012 0.161 -0.401 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.661 0.123 0.968 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.427 1.518 -0.676 1.00 0.90 C ATOM 0 H LEU A 53 -4.580 -1.509 -0.602 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.278 -0.417 1.452 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.272 -0.647 -1.336 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -7.454 -1.848 -0.853 1.00 0.30 H new ATOM 0 HG LEU A 53 -8.784 -0.030 -1.146 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -9.409 0.913 1.038 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -9.140 -0.845 1.117 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -7.901 0.273 1.735 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -8.202 2.277 -0.570 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -6.624 1.718 0.033 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -7.030 1.544 -1.691 1.00 0.90 H new ATOM 869 N ASP A 54 -6.963 -2.501 2.594 1.00 0.28 N ATOM 870 CA ASP A 54 -7.557 -3.662 3.236 1.00 0.35 C ATOM 871 C ASP A 54 -8.763 -4.155 2.448 1.00 0.37 C ATOM 872 O ASP A 54 -9.647 -3.385 2.068 1.00 0.63 O ATOM 873 CB ASP A 54 -7.987 -3.326 4.674 1.00 0.59 C ATOM 874 CG ASP A 54 -9.465 -3.572 4.935 1.00 1.03 C ATOM 875 OD1 ASP A 54 -9.865 -4.744 5.118 1.00 1.33 O ATOM 876 OD2 ASP A 54 -10.240 -2.591 4.938 1.00 1.47 O ATOM 0 H ASP A 54 -6.816 -1.703 3.211 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.804 -4.450 3.264 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -7.398 -3.923 5.370 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -7.759 -2.280 4.879 1.00 0.59 H new ATOM 881 N MET A 55 -8.741 -5.427 2.133 1.00 0.23 N ATOM 882 CA MET A 55 -9.943 -6.112 1.700 1.00 0.29 C ATOM 883 C MET A 55 -10.318 -7.179 2.726 1.00 0.35 C ATOM 884 O MET A 55 -11.187 -8.018 2.481 1.00 0.50 O ATOM 885 CB MET A 55 -9.758 -6.749 0.327 1.00 0.30 C ATOM 886 CG MET A 55 -9.439 -5.763 -0.789 1.00 0.32 C ATOM 887 SD MET A 55 -9.994 -6.375 -2.388 1.00 0.70 S ATOM 888 CE MET A 55 -11.719 -6.714 -2.038 1.00 0.94 C ATOM 0 H MET A 55 -7.906 -6.012 2.167 1.00 0.23 H new ATOM 0 HA MET A 55 -10.746 -5.379 1.620 1.00 0.29 H new ATOM 0 HB2 MET A 55 -8.955 -7.483 0.386 1.00 0.30 H new ATOM 0 HB3 MET A 55 -10.667 -7.291 0.067 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.917 -4.806 -0.578 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.365 -5.582 -0.820 1.00 0.32 H new ATOM 0 HE1 MET A 55 -12.302 -6.615 -2.953 1.00 0.94 H new ATOM 0 HE2 MET A 55 -11.819 -7.728 -1.652 1.00 0.94 H new ATOM 0 HE3 MET A 55 -12.086 -6.005 -1.295 1.00 0.94 H new ATOM 898 N LYS A 56 -9.634 -7.151 3.868 1.00 0.30 N ATOM 899 CA LYS A 56 -9.901 -8.085 4.953 1.00 0.35 C ATOM 900 C LYS A 56 -11.225 -7.782 5.653 1.00 0.34 C ATOM 901 O LYS A 56 -12.180 -8.555 5.542 1.00 0.44 O ATOM 902 CB LYS A 56 -8.763 -8.058 5.977 1.00 0.34 C ATOM 903 CG LYS A 56 -7.423 -8.498 5.417 1.00 0.46 C ATOM 904 CD LYS A 56 -7.490 -9.884 4.780 1.00 0.59 C ATOM 905 CE LYS A 56 -8.115 -10.929 5.700 1.00 1.26 C ATOM 906 NZ LYS A 56 -7.347 -11.126 6.962 1.00 2.24 N ATOM 0 H LYS A 56 -8.886 -6.486 4.064 1.00 0.30 H new ATOM 0 HA LYS A 56 -9.971 -9.079 4.510 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.666 -7.047 6.372 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.026 -8.704 6.815 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.087 -7.775 4.674 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -6.681 -8.503 6.216 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.068 -9.827 3.857 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -6.484 -10.202 4.507 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -9.134 -10.628 5.944 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -8.182 -11.879 5.170 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -7.818 -11.846 7.546 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -6.382 -11.441 6.736 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -7.304 -10.229 7.486 1.00 2.24 H new ATOM 920 N ILE A 57 -11.291 -6.647 6.349 1.00 0.29 N ATOM 921 CA ILE A 57 -12.441 -6.336 7.193 1.00 0.36 C ATOM 922 C ILE A 57 -12.363 -4.915 7.812 1.00 0.30 C ATOM 923 O ILE A 57 -13.410 -4.280 7.936 1.00 0.40 O ATOM 924 CB ILE A 57 -12.657 -7.433 8.290 1.00 0.51 C ATOM 925 CG1 ILE A 57 -14.138 -7.530 8.706 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.780 -7.200 9.514 1.00 0.90 C ATOM 927 CD1 ILE A 57 -14.619 -6.430 9.632 1.00 2.06 C ATOM 0 H ILE A 57 -10.564 -5.931 6.344 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.315 -6.339 6.542 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.360 -8.382 7.843 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -14.753 -7.521 7.806 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -14.300 -8.491 9.194 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -11.964 -7.985 10.248 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.731 -7.218 9.219 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -12.017 -6.231 9.952 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -15.672 -6.586 9.867 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -14.036 -6.448 10.552 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -14.496 -5.463 9.143 1.00 2.06 H new ATOM 939 N PRO A 58 -11.148 -4.386 8.205 1.00 0.29 N ATOM 940 CA PRO A 58 -10.963 -3.043 8.761 1.00 0.31 C ATOM 941 C PRO A 58 -12.082 -2.034 8.491 1.00 0.27 C ATOM 942 O PRO A 58 -12.714 -1.545 9.431 1.00 0.33 O ATOM 943 CB PRO A 58 -9.679 -2.624 8.063 1.00 0.40 C ATOM 944 CG PRO A 58 -8.853 -3.872 8.024 1.00 0.45 C ATOM 945 CD PRO A 58 -9.817 -5.035 8.174 1.00 0.45 C ATOM 0 HA PRO A 58 -10.949 -3.063 9.851 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -9.877 -2.247 7.060 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.172 -1.828 8.608 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.303 -3.943 7.086 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.116 -3.874 8.827 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.732 -5.735 7.343 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.625 -5.599 9.087 1.00 0.45 H new ATOM 953 N GLY A 59 -12.326 -1.718 7.228 1.00 0.32 N ATOM 954 CA GLY A 59 -13.336 -0.729 6.917 1.00 0.44 C ATOM 955 C GLY A 59 -14.280 -1.160 5.815 1.00 0.40 C ATOM 956 O GLY A 59 -15.444 -1.479 6.066 1.00 0.47 O ATOM 0 H GLY A 59 -11.849 -2.123 6.422 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -13.913 -0.515 7.816 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -12.846 0.200 6.623 1.00 0.44 H new ATOM 960 N MET A 60 -13.777 -1.157 4.597 1.00 0.32 N ATOM 961 CA MET A 60 -14.589 -1.425 3.420 1.00 0.30 C ATOM 962 C MET A 60 -13.717 -2.092 2.373 1.00 0.21 C ATOM 963 O MET A 60 -12.499 -2.128 2.532 1.00 0.18 O ATOM 964 CB MET A 60 -15.181 -0.113 2.882 1.00 0.37 C ATOM 965 CG MET A 60 -16.162 -0.292 1.731 1.00 0.43 C ATOM 966 SD MET A 60 -17.575 -1.319 2.172 1.00 1.82 S ATOM 967 CE MET A 60 -18.476 -1.336 0.624 1.00 2.23 C ATOM 0 H MET A 60 -12.796 -0.969 4.392 1.00 0.32 H new ATOM 0 HA MET A 60 -15.416 -2.087 3.676 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.686 0.405 3.697 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.366 0.531 2.552 1.00 0.37 H new ATOM 0 HG2 MET A 60 -16.517 0.686 1.406 1.00 0.43 H new ATOM 0 HG3 MET A 60 -15.643 -0.740 0.884 1.00 0.43 H new ATOM 0 HE1 MET A 60 -19.446 -1.811 0.773 1.00 2.23 H new ATOM 0 HE2 MET A 60 -18.623 -0.313 0.277 1.00 2.23 H new ATOM 0 HE3 MET A 60 -17.909 -1.894 -0.121 1.00 2.23 H new ATOM 977 N ASP A 61 -14.318 -2.625 1.320 1.00 0.21 N ATOM 978 CA ASP A 61 -13.543 -3.208 0.241 1.00 0.18 C ATOM 979 C ASP A 61 -12.614 -2.174 -0.330 1.00 0.14 C ATOM 980 O ASP A 61 -13.033 -1.064 -0.691 1.00 0.17 O ATOM 981 CB ASP A 61 -14.429 -3.708 -0.893 1.00 0.26 C ATOM 982 CG ASP A 61 -15.251 -4.916 -0.516 1.00 0.48 C ATOM 983 OD1 ASP A 61 -14.695 -6.031 -0.524 1.00 0.67 O ATOM 984 OD2 ASP A 61 -16.445 -4.759 -0.204 1.00 0.64 O ATOM 0 H ASP A 61 -15.329 -2.665 1.192 1.00 0.21 H new ATOM 0 HA ASP A 61 -12.993 -4.050 0.662 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.097 -2.905 -1.205 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -13.805 -3.955 -1.752 1.00 0.26 H new ATOM 989 N GLY A 62 -11.358 -2.548 -0.430 1.00 0.16 N ATOM 990 CA GLY A 62 -10.367 -1.647 -0.946 1.00 0.20 C ATOM 991 C GLY A 62 -10.624 -1.258 -2.372 1.00 0.20 C ATOM 992 O GLY A 62 -9.951 -0.396 -2.908 1.00 0.32 O ATOM 0 H GLY A 62 -11.005 -3.466 -0.161 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.341 -0.750 -0.328 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.385 -2.113 -0.872 1.00 0.20 H new ATOM 996 N ILE A 63 -11.603 -1.888 -2.988 1.00 0.16 N ATOM 997 CA ILE A 63 -11.966 -1.558 -4.341 1.00 0.17 C ATOM 998 C ILE A 63 -12.791 -0.296 -4.352 1.00 0.18 C ATOM 999 O ILE A 63 -12.507 0.639 -5.098 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.771 -2.689 -4.983 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.241 -4.041 -4.510 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.708 -2.585 -6.498 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -10.754 -4.187 -4.670 1.00 1.31 C ATOM 0 H ILE A 63 -12.160 -2.632 -2.568 1.00 0.16 H new ATOM 0 HA ILE A 63 -11.050 -1.411 -4.913 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.814 -2.601 -4.678 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -12.501 -4.178 -3.461 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.739 -4.834 -5.068 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.285 -3.396 -6.943 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.123 -1.628 -6.815 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.671 -2.656 -6.825 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -10.445 -5.170 -4.315 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -10.489 -4.081 -5.722 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -10.248 -3.416 -4.089 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.792 -0.264 -3.490 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.624 0.910 -3.344 1.00 0.17 C ATOM 1017 C GLU A 64 -13.766 2.062 -2.854 1.00 0.16 C ATOM 1018 O GLU A 64 -13.966 3.226 -3.228 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.768 0.635 -2.369 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.640 -0.539 -2.782 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.249 -0.353 -4.157 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -18.358 0.218 -4.250 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.629 -0.785 -5.149 1.00 0.43 O ATOM 0 H GLU A 64 -14.046 -1.041 -2.881 1.00 0.15 H new ATOM 0 HA GLU A 64 -15.063 1.171 -4.307 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.354 0.441 -1.379 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.388 1.528 -2.286 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.044 -1.451 -2.772 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.437 -0.671 -2.050 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.774 1.724 -2.042 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.861 2.723 -1.530 1.00 0.16 C ATOM 1032 C ILE A 65 -10.833 3.133 -2.587 1.00 0.15 C ATOM 1033 O ILE A 65 -10.506 4.311 -2.705 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.156 2.239 -0.257 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -12.203 1.796 0.765 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.287 3.351 0.315 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.611 1.118 1.973 1.00 0.69 C ATOM 0 H ILE A 65 -12.586 0.772 -1.728 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.456 3.600 -1.275 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.513 1.392 -0.497 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.774 2.666 1.089 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.905 1.115 0.283 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.791 2.997 1.219 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.537 3.641 -0.421 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.910 4.212 0.557 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -12.410 0.830 2.657 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -11.064 0.229 1.660 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.931 1.804 2.478 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.343 2.185 -3.379 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.365 2.519 -4.408 1.00 0.22 C ATOM 1051 C LEU A 66 -9.993 3.411 -5.460 1.00 0.16 C ATOM 1052 O LEU A 66 -9.355 4.323 -5.947 1.00 0.15 O ATOM 1053 CB LEU A 66 -8.720 1.267 -5.048 1.00 0.43 C ATOM 1054 CG LEU A 66 -9.586 0.402 -5.980 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -9.618 0.973 -7.390 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.070 -1.034 -6.011 1.00 1.47 C ATOM 0 H LEU A 66 -10.600 1.199 -3.331 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.556 3.064 -3.921 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -7.846 1.594 -5.612 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -8.358 0.629 -4.242 1.00 0.43 H new ATOM 0 HG LEU A 66 -10.602 0.406 -5.586 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -10.238 0.340 -8.025 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -10.034 1.980 -7.365 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -8.605 1.009 -7.791 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.695 -1.631 -6.675 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -8.042 -1.044 -6.374 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -9.104 -1.455 -5.006 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.249 3.178 -5.785 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.906 3.984 -6.800 1.00 0.17 C ATOM 1070 C LYS A 67 -12.226 5.375 -6.275 1.00 0.14 C ATOM 1071 O LYS A 67 -12.149 6.344 -7.026 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.162 3.290 -7.320 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.121 2.888 -6.221 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.259 2.031 -6.747 1.00 0.27 C ATOM 1075 CE LYS A 67 -14.736 0.748 -7.385 1.00 0.42 C ATOM 1076 NZ LYS A 67 -15.835 -0.212 -7.693 1.00 0.65 N ATOM 0 H LYS A 67 -11.830 2.449 -5.370 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.215 4.097 -7.636 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.675 3.955 -8.015 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -12.872 2.403 -7.883 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.580 2.339 -5.450 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.528 3.782 -5.750 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -15.938 1.784 -5.931 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.834 2.596 -7.480 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.200 0.992 -8.302 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.019 0.275 -6.713 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -15.429 -1.108 -8.030 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -16.394 -0.387 -6.834 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.449 0.189 -8.430 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.578 5.498 -4.997 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.723 6.835 -4.432 1.00 0.14 C ATOM 1092 C ARG A 68 -11.384 7.582 -4.394 1.00 0.12 C ATOM 1093 O ARG A 68 -11.340 8.797 -4.594 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.395 6.823 -3.051 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.735 5.941 -2.018 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.591 5.851 -0.775 1.00 0.37 C ATOM 1097 NE ARG A 68 -14.054 7.173 -0.364 1.00 1.18 N ATOM 1098 CZ ARG A 68 -14.834 7.412 0.684 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -15.281 6.414 1.438 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -15.181 8.661 0.961 1.00 2.18 N ATOM 0 H ARG A 68 -12.761 4.725 -4.358 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.389 7.380 -5.101 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.421 7.844 -2.669 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.429 6.501 -3.172 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.576 4.945 -2.430 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.754 6.341 -1.763 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -14.448 5.204 -0.965 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -13.019 5.394 0.033 1.00 0.37 H new ATOM 0 HE ARG A 68 -13.756 7.972 -0.923 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -15.026 5.452 1.215 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -15.879 6.610 2.240 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -14.849 9.425 0.372 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -15.780 8.858 1.763 1.00 2.18 H new ATOM 1114 N MET A 69 -10.276 6.882 -4.187 1.00 0.11 N ATOM 1115 CA MET A 69 -9.003 7.555 -4.211 1.00 0.12 C ATOM 1116 C MET A 69 -8.515 7.653 -5.634 1.00 0.10 C ATOM 1117 O MET A 69 -7.572 8.361 -5.918 1.00 0.12 O ATOM 1118 CB MET A 69 -7.978 6.861 -3.337 1.00 0.15 C ATOM 1119 CG MET A 69 -7.940 5.380 -3.574 1.00 0.25 C ATOM 1120 SD MET A 69 -6.539 4.578 -2.796 1.00 0.33 S ATOM 1121 CE MET A 69 -6.869 4.994 -1.086 1.00 1.28 C ATOM 0 H MET A 69 -10.240 5.879 -4.006 1.00 0.11 H new ATOM 0 HA MET A 69 -9.138 8.557 -3.803 1.00 0.12 H new ATOM 0 HB2 MET A 69 -6.992 7.284 -3.531 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.207 7.054 -2.289 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.861 4.934 -3.198 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.909 5.191 -4.647 1.00 0.25 H new ATOM 0 HE1 MET A 69 -6.089 5.659 -0.716 1.00 1.28 H new ATOM 0 HE2 MET A 69 -7.836 5.492 -1.013 1.00 1.28 H new ATOM 0 HE3 MET A 69 -6.884 4.084 -0.486 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.172 6.923 -6.518 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.929 7.038 -7.940 1.00 0.10 C ATOM 1133 C LYS A 70 -9.604 8.300 -8.458 1.00 0.13 C ATOM 1134 O LYS A 70 -9.081 8.998 -9.313 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.481 5.824 -8.687 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.407 4.938 -9.285 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.649 4.202 -8.202 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.780 3.101 -8.767 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.848 2.569 -7.741 1.00 1.30 N ATOM 0 H LYS A 70 -9.885 6.238 -6.269 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.853 7.087 -8.110 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -10.088 5.232 -8.002 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.141 6.168 -9.483 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.861 4.220 -9.968 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.716 5.543 -9.871 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -7.027 4.908 -7.651 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.356 3.776 -7.490 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -7.410 2.294 -9.143 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -6.211 3.483 -9.615 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.254 1.827 -8.163 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -5.243 3.338 -7.389 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -6.393 2.168 -6.951 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.770 8.607 -7.918 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.517 9.767 -8.370 1.00 0.18 C ATOM 1155 C VAL A 71 -10.831 11.033 -7.893 1.00 0.15 C ATOM 1156 O VAL A 71 -10.835 12.060 -8.574 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.980 9.718 -7.889 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.124 10.128 -6.438 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.883 10.544 -8.792 1.00 1.03 C ATOM 0 H VAL A 71 -11.217 8.074 -7.172 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.537 9.763 -9.460 1.00 0.18 H new ATOM 0 HB VAL A 71 -13.301 8.678 -7.953 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.173 10.077 -6.148 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -12.541 9.455 -5.810 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -12.762 11.148 -6.310 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.909 10.490 -8.428 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.550 11.582 -8.788 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.838 10.152 -9.808 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.234 10.943 -6.718 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.395 12.029 -6.219 1.00 0.14 C ATOM 1171 C ILE A 72 -7.967 11.920 -6.774 1.00 0.15 C ATOM 1172 O ILE A 72 -7.266 12.925 -6.883 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.364 12.103 -4.669 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.794 10.822 -4.065 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.762 12.369 -4.123 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.767 10.831 -2.552 1.00 0.14 C ATOM 0 H ILE A 72 -10.310 10.140 -6.094 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.848 12.954 -6.576 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.711 12.928 -4.385 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.387 9.973 -4.405 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.781 10.673 -4.438 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.724 12.418 -3.035 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -11.132 13.316 -4.516 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.431 11.564 -4.427 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.350 9.891 -2.190 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -8.150 11.659 -2.204 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.781 10.949 -2.171 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.550 10.707 -7.155 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.210 10.483 -7.714 1.00 0.12 C ATOM 1190 C ASP A 73 -6.119 9.164 -8.469 1.00 0.13 C ATOM 1191 O ASP A 73 -5.738 8.158 -7.906 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.149 10.452 -6.612 1.00 0.20 C ATOM 1193 CG ASP A 73 -3.981 11.379 -6.894 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.041 10.971 -7.610 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -3.995 12.523 -6.393 1.00 1.08 O ATOM 0 H ASP A 73 -8.121 9.864 -7.087 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.030 11.313 -8.398 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.608 10.732 -5.664 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.779 9.433 -6.499 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.434 9.154 -9.744 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.309 7.920 -10.525 1.00 0.16 C ATOM 1202 C GLU A 74 -4.853 7.637 -10.849 1.00 0.18 C ATOM 1203 O GLU A 74 -4.530 6.709 -11.588 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.132 7.961 -11.803 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.486 7.286 -11.665 1.00 0.52 C ATOM 1206 CD GLU A 74 -9.354 7.456 -12.891 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -10.016 8.505 -13.016 1.00 1.78 O ATOM 1208 OE2 GLU A 74 -9.377 6.541 -13.737 1.00 1.67 O ATOM 0 H GLU A 74 -6.773 9.963 -10.265 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.703 7.112 -9.908 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.280 9.000 -12.099 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.572 7.478 -12.604 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.339 6.223 -11.474 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.005 7.696 -10.799 1.00 0.52 H new ATOM 1215 N ASN A 75 -3.981 8.448 -10.279 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.560 8.185 -10.317 1.00 0.21 C ATOM 1217 C ASN A 75 -2.280 7.146 -9.264 1.00 0.20 C ATOM 1218 O ASN A 75 -1.367 6.326 -9.374 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.759 9.459 -10.027 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.548 9.206 -9.140 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.529 8.855 -9.620 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.719 9.407 -7.837 1.00 0.22 N ATOM 0 H ASN A 75 -4.238 9.300 -9.781 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.263 7.836 -11.306 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.429 9.897 -10.969 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.409 10.190 -9.546 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.060 9.270 -7.193 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.630 9.698 -7.481 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.123 7.182 -8.251 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.985 6.326 -7.107 1.00 0.16 C ATOM 1231 C ILE A 76 -3.235 4.890 -7.484 1.00 0.17 C ATOM 1232 O ILE A 76 -3.962 4.580 -8.432 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.957 6.750 -6.000 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.327 6.588 -4.637 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.275 5.965 -6.052 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -4.136 7.264 -3.567 1.00 0.19 C ATOM 0 H ILE A 76 -3.924 7.812 -8.206 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.964 6.418 -6.737 1.00 0.16 H new ATOM 0 HB ILE A 76 -4.183 7.802 -6.172 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.230 5.527 -4.405 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.320 7.005 -4.650 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.930 6.301 -5.248 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.762 6.135 -7.012 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -5.070 4.901 -5.932 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.650 7.125 -2.601 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -4.211 8.329 -3.786 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -5.135 6.829 -3.537 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.645 4.017 -6.726 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.810 2.617 -6.928 1.00 0.15 C ATOM 1250 C ARG A 77 -3.036 1.981 -5.581 1.00 0.14 C ATOM 1251 O ARG A 77 -2.984 2.661 -4.562 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.568 2.041 -7.591 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.344 2.147 -6.715 1.00 0.17 C ATOM 1254 CD ARG A 77 0.873 2.568 -7.506 1.00 0.28 C ATOM 1255 NE ARG A 77 0.723 3.892 -8.111 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.282 4.248 -9.269 1.00 0.65 C ATOM 1257 NH1 ARG A 77 1.899 3.338 -10.014 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.199 5.500 -9.697 1.00 1.08 N ATOM 0 H ARG A 77 -2.033 4.261 -5.947 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.660 2.419 -7.580 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.744 0.994 -7.838 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.385 2.564 -8.530 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.528 2.868 -5.918 1.00 0.17 H new ATOM 0 HG3 ARG A 77 -0.153 1.186 -6.238 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.744 2.569 -6.851 1.00 0.28 H new ATOM 0 HD3 ARG A 77 1.064 1.835 -8.289 1.00 0.28 H new ATOM 0 HE ARG A 77 0.158 4.584 -7.618 1.00 0.55 H new ATOM 0 HH11 ARG A 77 1.945 2.368 -9.701 1.00 0.96 H new ATOM 0 HH12 ARG A 77 2.327 3.609 -10.900 1.00 0.96 H new ATOM 0 HH21 ARG A 77 0.706 6.198 -9.140 1.00 1.08 H new ATOM 0 HH22 ARG A 77 1.629 5.766 -10.583 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.253 0.693 -5.557 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.593 0.039 -4.314 1.00 0.15 C ATOM 1274 C VAL A 78 -2.987 -1.338 -4.239 1.00 0.16 C ATOM 1275 O VAL A 78 -2.837 -2.022 -5.234 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.120 -0.045 -4.117 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.646 1.242 -3.509 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.807 -0.302 -5.438 1.00 0.43 C ATOM 0 H VAL A 78 -3.202 0.079 -6.370 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.178 0.647 -3.510 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.333 -0.871 -3.439 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.725 1.167 -3.376 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.172 1.408 -2.542 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.419 2.077 -4.172 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.884 -0.359 -5.283 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.582 0.510 -6.129 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.451 -1.243 -5.856 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.597 -1.712 -3.059 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.130 -3.044 -2.802 1.00 0.09 C ATOM 1290 C ILE A 79 -3.112 -3.689 -1.858 1.00 0.09 C ATOM 1291 O ILE A 79 -2.879 -3.766 -0.654 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.734 -3.031 -2.158 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.273 -2.338 -3.085 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.278 -4.439 -1.809 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.673 -2.265 -2.520 1.00 0.60 C ATOM 0 H ILE A 79 -2.593 -1.101 -2.242 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.055 -3.595 -3.740 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.791 -2.465 -1.228 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.302 -2.870 -4.036 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.077 -1.327 -3.295 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.712 -4.399 -1.355 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.981 -4.886 -1.106 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.238 -5.043 -2.715 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.327 -1.762 -3.232 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.659 -1.707 -1.584 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.044 -3.273 -2.336 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.254 -4.054 -2.389 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.334 -4.508 -1.526 1.00 0.10 C ATOM 1309 C ILE A 80 -4.976 -5.775 -0.748 1.00 0.12 C ATOM 1310 O ILE A 80 -4.330 -6.690 -1.262 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.687 -4.677 -2.258 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.704 -5.946 -3.134 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.967 -3.434 -3.097 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.691 -5.953 -4.263 1.00 0.13 C ATOM 0 H ILE A 80 -4.464 -4.049 -3.387 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.466 -3.700 -0.806 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.473 -4.794 -1.512 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.524 -6.812 -2.498 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.701 -6.064 -3.558 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.920 -3.551 -3.614 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -7.011 -2.559 -2.448 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.171 -3.303 -3.830 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -5.777 -6.884 -4.824 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -5.881 -5.110 -4.928 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.686 -5.870 -3.850 1.00 0.13 H new ATOM 1326 N MET A 81 -5.402 -5.794 0.508 1.00 0.15 N ATOM 1327 CA MET A 81 -5.053 -6.857 1.439 1.00 0.21 C ATOM 1328 C MET A 81 -6.203 -7.836 1.569 1.00 0.20 C ATOM 1329 O MET A 81 -7.179 -7.566 2.254 1.00 0.36 O ATOM 1330 CB MET A 81 -4.700 -6.296 2.813 1.00 0.31 C ATOM 1331 CG MET A 81 -3.926 -4.989 2.761 1.00 0.43 C ATOM 1332 SD MET A 81 -2.913 -4.717 4.229 1.00 0.80 S ATOM 1333 CE MET A 81 -1.643 -5.962 3.999 1.00 1.88 C ATOM 0 H MET A 81 -6.000 -5.072 0.910 1.00 0.15 H new ATOM 0 HA MET A 81 -4.178 -7.373 1.043 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.619 -6.141 3.379 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.111 -7.035 3.357 1.00 0.31 H new ATOM 0 HG2 MET A 81 -3.287 -4.986 1.878 1.00 0.43 H new ATOM 0 HG3 MET A 81 -4.627 -4.161 2.650 1.00 0.43 H new ATOM 0 HE1 MET A 81 -0.880 -5.851 4.770 1.00 1.88 H new ATOM 0 HE2 MET A 81 -2.089 -6.954 4.070 1.00 1.88 H new ATOM 0 HE3 MET A 81 -1.187 -5.839 3.017 1.00 1.88 H new ATOM 1343 N THR A 82 -6.082 -8.972 0.921 1.00 0.25 N ATOM 1344 CA THR A 82 -7.194 -9.893 0.804 1.00 0.30 C ATOM 1345 C THR A 82 -6.913 -11.221 1.476 1.00 0.31 C ATOM 1346 O THR A 82 -5.775 -11.529 1.837 1.00 0.35 O ATOM 1347 CB THR A 82 -7.551 -10.110 -0.674 1.00 0.47 C ATOM 1348 OG1 THR A 82 -8.576 -11.105 -0.818 1.00 1.13 O ATOM 1349 CG2 THR A 82 -6.318 -10.500 -1.478 1.00 0.91 C ATOM 0 H THR A 82 -5.224 -9.283 0.465 1.00 0.25 H new ATOM 0 HA THR A 82 -8.042 -9.443 1.319 1.00 0.30 H new ATOM 0 HB THR A 82 -7.934 -9.167 -1.064 1.00 0.47 H new ATOM 0 HG1 THR A 82 -9.425 -10.751 -0.480 1.00 1.13 H new ATOM 0 HG21 THR A 82 -6.596 -10.648 -2.521 1.00 0.91 H new ATOM 0 HG22 THR A 82 -5.573 -9.707 -1.410 1.00 0.91 H new ATOM 0 HG23 THR A 82 -5.901 -11.424 -1.079 1.00 0.91 H new ATOM 1357 N ALA A 83 -7.978 -11.983 1.675 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.888 -13.362 2.133 1.00 0.40 C ATOM 1359 C ALA A 83 -7.312 -14.251 1.028 1.00 0.45 C ATOM 1360 O ALA A 83 -7.935 -15.223 0.604 1.00 0.54 O ATOM 1361 CB ALA A 83 -9.259 -13.865 2.560 1.00 0.47 C ATOM 0 H ALA A 83 -8.934 -11.661 1.523 1.00 0.33 H new ATOM 0 HA ALA A 83 -7.220 -13.403 2.993 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -9.178 -14.897 2.900 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.638 -13.244 3.372 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -9.945 -13.815 1.714 1.00 0.47 H new ATOM 1367 N TYR A 84 -6.126 -13.868 0.559 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.384 -14.583 -0.476 1.00 0.55 C ATOM 1369 C TYR A 84 -6.030 -14.413 -1.856 1.00 0.56 C ATOM 1370 O TYR A 84 -5.579 -14.994 -2.843 1.00 0.77 O ATOM 1371 CB TYR A 84 -5.225 -16.068 -0.106 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.201 -16.815 -0.936 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -2.841 -16.579 -0.776 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -4.598 -17.750 -1.884 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -1.906 -17.251 -1.539 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -3.668 -18.428 -2.647 1.00 2.97 C ATOM 1377 CZ TYR A 84 -2.317 -18.194 -2.445 1.00 3.26 C ATOM 1378 OH TYR A 84 -1.401 -18.847 -3.242 1.00 4.30 O ATOM 0 H TYR A 84 -5.644 -13.034 0.895 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.388 -14.143 -0.535 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -4.945 -16.140 0.945 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -6.191 -16.562 -0.213 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -2.510 -15.858 -0.043 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -5.650 -17.949 -2.026 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -0.854 -17.034 -1.422 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -3.991 -19.136 -3.396 1.00 2.97 H new ATOM 0 HH TYR A 84 -1.868 -19.482 -3.824 1.00 4.30 H new ATOM 1388 N GLY A 85 -7.055 -13.581 -1.926 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.700 -13.293 -3.190 1.00 0.56 C ATOM 1390 C GLY A 85 -8.982 -14.071 -3.379 1.00 0.55 C ATOM 1391 O GLY A 85 -8.983 -15.155 -3.956 1.00 0.62 O ATOM 0 H GLY A 85 -7.456 -13.096 -1.123 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -7.915 -12.226 -3.249 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -7.015 -13.526 -4.005 1.00 0.56 H new ATOM 1395 N GLU A 86 -10.077 -13.498 -2.905 1.00 0.55 N ATOM 1396 CA GLU A 86 -11.390 -14.128 -2.997 1.00 0.62 C ATOM 1397 C GLU A 86 -12.014 -13.909 -4.381 1.00 0.68 C ATOM 1398 O GLU A 86 -13.182 -14.230 -4.607 1.00 1.05 O ATOM 1399 CB GLU A 86 -12.292 -13.561 -1.902 1.00 0.72 C ATOM 1400 CG GLU A 86 -11.616 -13.524 -0.539 1.00 0.74 C ATOM 1401 CD GLU A 86 -12.506 -12.962 0.550 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -12.492 -11.734 0.754 1.00 1.17 O ATOM 1403 OE2 GLU A 86 -13.206 -13.747 1.221 1.00 1.33 O ATOM 0 H GLU A 86 -10.084 -12.587 -2.447 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.279 -15.203 -2.858 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -12.599 -12.552 -2.177 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -13.198 -14.163 -1.836 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -11.309 -14.533 -0.265 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -10.709 -12.922 -0.606 1.00 0.74 H new ATOM 1410 N LEU A 87 -11.209 -13.378 -5.297 1.00 0.71 N ATOM 1411 CA LEU A 87 -11.619 -13.126 -6.682 1.00 0.73 C ATOM 1412 C LEU A 87 -12.709 -12.057 -6.788 1.00 0.74 C ATOM 1413 O LEU A 87 -12.956 -11.306 -5.843 1.00 0.72 O ATOM 1414 CB LEU A 87 -12.071 -14.421 -7.363 1.00 0.85 C ATOM 1415 CG LEU A 87 -10.939 -15.374 -7.745 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -11.492 -16.606 -8.442 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -9.930 -14.659 -8.634 1.00 1.73 C ATOM 0 H LEU A 87 -10.245 -13.107 -5.101 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.741 -12.741 -7.201 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -12.758 -14.944 -6.698 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.631 -14.165 -8.263 1.00 0.85 H new ATOM 0 HG LEU A 87 -10.432 -15.698 -6.836 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -10.672 -17.273 -8.707 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -12.180 -17.124 -7.774 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -12.022 -16.306 -9.346 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -9.128 -15.347 -8.900 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -10.426 -14.311 -9.540 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.513 -13.806 -8.098 1.00 1.73 H new ATOM 1429 N ASP A 88 -13.324 -11.985 -7.970 1.00 0.80 N ATOM 1430 CA ASP A 88 -14.352 -10.989 -8.291 1.00 0.85 C ATOM 1431 C ASP A 88 -13.816 -9.569 -8.157 1.00 0.74 C ATOM 1432 O ASP A 88 -13.128 -9.071 -9.050 1.00 0.67 O ATOM 1433 CB ASP A 88 -15.601 -11.159 -7.417 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.459 -12.344 -7.815 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -15.913 -13.449 -8.016 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -17.695 -12.182 -7.895 1.00 1.38 O ATOM 0 H ASP A 88 -13.121 -12.622 -8.740 1.00 0.80 H new ATOM 0 HA ASP A 88 -14.634 -11.158 -9.330 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.295 -11.275 -6.377 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -16.201 -10.251 -7.473 1.00 1.01 H new ATOM 1441 N MET A 89 -14.114 -8.928 -7.031 1.00 0.76 N ATOM 1442 CA MET A 89 -13.606 -7.599 -6.744 1.00 0.73 C ATOM 1443 C MET A 89 -12.088 -7.630 -6.615 1.00 0.57 C ATOM 1444 O MET A 89 -11.438 -6.602 -6.688 1.00 0.53 O ATOM 1445 CB MET A 89 -14.230 -7.030 -5.463 1.00 0.87 C ATOM 1446 CG MET A 89 -15.718 -6.721 -5.576 1.00 1.58 C ATOM 1447 SD MET A 89 -16.746 -8.203 -5.642 1.00 1.63 S ATOM 1448 CE MET A 89 -18.371 -7.471 -5.830 1.00 2.72 C ATOM 0 H MET A 89 -14.710 -9.315 -6.299 1.00 0.76 H new ATOM 0 HA MET A 89 -13.882 -6.949 -7.574 1.00 0.73 H new ATOM 0 HB2 MET A 89 -14.079 -7.742 -4.652 1.00 0.87 H new ATOM 0 HB3 MET A 89 -13.701 -6.117 -5.189 1.00 0.87 H new ATOM 0 HG2 MET A 89 -16.022 -6.113 -4.724 1.00 1.58 H new ATOM 0 HG3 MET A 89 -15.892 -6.125 -6.472 1.00 1.58 H new ATOM 0 HE1 MET A 89 -19.121 -8.260 -5.886 1.00 2.72 H new ATOM 0 HE2 MET A 89 -18.582 -6.830 -4.974 1.00 2.72 H new ATOM 0 HE3 MET A 89 -18.399 -6.878 -6.744 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.537 -8.819 -6.408 1.00 0.53 N ATOM 1459 CA ILE A 90 -10.090 -9.010 -6.410 1.00 0.45 C ATOM 1460 C ILE A 90 -9.537 -8.836 -7.818 1.00 0.42 C ATOM 1461 O ILE A 90 -8.481 -8.232 -8.015 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.717 -10.404 -5.873 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.115 -10.519 -4.400 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.230 -10.686 -6.054 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.330 -9.609 -3.490 1.00 0.67 C ATOM 0 H ILE A 90 -12.072 -9.670 -6.236 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.650 -8.258 -5.755 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.265 -11.151 -6.447 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.176 -10.291 -4.300 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -9.978 -11.550 -4.075 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -7.998 -11.677 -5.665 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.978 -10.643 -7.114 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.649 -9.939 -5.513 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -9.666 -9.745 -2.462 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -8.270 -9.851 -3.560 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.486 -8.573 -3.789 1.00 0.67 H new ATOM 1477 N GLN A 91 -10.264 -9.355 -8.798 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.884 -9.181 -10.188 1.00 0.52 C ATOM 1479 C GLN A 91 -10.024 -7.713 -10.555 1.00 0.44 C ATOM 1480 O GLN A 91 -9.076 -7.075 -11.014 1.00 0.40 O ATOM 1481 CB GLN A 91 -10.748 -10.037 -11.104 1.00 0.67 C ATOM 1482 CG GLN A 91 -10.632 -11.515 -10.810 1.00 0.79 C ATOM 1483 CD GLN A 91 -11.332 -12.372 -11.847 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -11.797 -13.541 -11.446 1.00 2.50 O flip ATOM 1485 NE2 GLN A 91 -11.442 -11.987 -13.009 1.00 2.49 N flip ATOM 0 H GLN A 91 -11.116 -9.897 -8.655 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.850 -9.500 -10.317 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -11.790 -9.732 -11.002 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -10.462 -9.854 -12.140 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -9.579 -11.792 -10.766 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -11.056 -11.721 -9.827 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -11.070 -11.077 -13.282 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -11.905 -12.577 -13.700 1.00 2.49 H new ATOM 1494 N GLU A 92 -11.219 -7.189 -10.287 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.546 -5.783 -10.504 1.00 0.46 C ATOM 1496 C GLU A 92 -10.588 -4.864 -9.746 1.00 0.37 C ATOM 1497 O GLU A 92 -10.310 -3.753 -10.181 1.00 0.37 O ATOM 1498 CB GLU A 92 -12.985 -5.540 -10.049 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.312 -4.082 -9.789 1.00 0.65 C ATOM 1500 CD GLU A 92 -14.741 -3.854 -9.336 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.523 -4.829 -9.296 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -15.095 -2.692 -9.021 1.00 1.27 O ATOM 0 H GLU A 92 -11.994 -7.735 -9.910 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.444 -5.554 -11.565 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.665 -5.924 -10.809 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.169 -6.111 -9.139 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -12.632 -3.695 -9.030 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.132 -3.510 -10.699 1.00 0.65 H new ATOM 1509 N SER A 93 -10.093 -5.341 -8.615 1.00 0.34 N ATOM 1510 CA SER A 93 -9.191 -4.573 -7.772 1.00 0.34 C ATOM 1511 C SER A 93 -7.986 -4.085 -8.559 1.00 0.33 C ATOM 1512 O SER A 93 -7.859 -2.897 -8.887 1.00 0.32 O ATOM 1513 CB SER A 93 -8.693 -5.444 -6.628 1.00 0.43 C ATOM 1514 OG SER A 93 -7.917 -4.689 -5.731 1.00 1.28 O ATOM 0 H SER A 93 -10.305 -6.272 -8.256 1.00 0.34 H new ATOM 0 HA SER A 93 -9.742 -3.713 -7.391 1.00 0.34 H new ATOM 0 HB2 SER A 93 -9.541 -5.883 -6.103 1.00 0.43 H new ATOM 0 HB3 SER A 93 -8.101 -6.269 -7.024 1.00 0.43 H new ATOM 0 HG SER A 93 -8.118 -3.737 -5.846 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.089 -5.023 -8.835 1.00 0.33 N ATOM 1521 CA LYS A 94 -5.907 -4.757 -9.630 1.00 0.34 C ATOM 1522 C LYS A 94 -6.286 -4.135 -10.967 1.00 0.32 C ATOM 1523 O LYS A 94 -5.608 -3.239 -11.472 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.134 -6.043 -9.868 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.014 -7.246 -10.140 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.182 -8.452 -10.528 1.00 0.43 C ATOM 1527 CE LYS A 94 -6.049 -9.676 -10.785 1.00 1.37 C ATOM 1528 NZ LYS A 94 -5.237 -10.857 -11.189 1.00 1.91 N ATOM 0 H LYS A 94 -7.164 -5.988 -8.512 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.279 -4.055 -9.081 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.460 -5.899 -10.713 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.513 -6.249 -8.996 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.604 -7.477 -9.253 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.718 -7.013 -10.939 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -4.603 -8.222 -11.422 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.468 -8.672 -9.734 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -6.615 -9.915 -9.885 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -6.774 -9.450 -11.567 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -5.865 -11.670 -11.355 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.716 -10.638 -12.062 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -4.562 -11.089 -10.433 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.388 -4.623 -11.512 1.00 0.33 N ATOM 1543 CA GLU A 95 -7.936 -4.144 -12.766 1.00 0.35 C ATOM 1544 C GLU A 95 -8.185 -2.628 -12.740 1.00 0.31 C ATOM 1545 O GLU A 95 -7.853 -1.920 -13.693 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.225 -4.919 -13.026 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.128 -4.322 -14.071 1.00 0.56 C ATOM 1548 CD GLU A 95 -9.556 -4.400 -15.474 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -9.397 -5.520 -16.002 1.00 1.84 O ATOM 1550 OE2 GLU A 95 -9.266 -3.341 -16.061 1.00 1.72 O ATOM 0 H GLU A 95 -7.933 -5.374 -11.088 1.00 0.33 H new ATOM 0 HA GLU A 95 -7.223 -4.312 -13.573 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -8.966 -5.934 -13.328 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -9.779 -4.997 -12.091 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -11.088 -4.837 -14.049 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.320 -3.278 -13.822 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.741 -2.132 -11.642 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.062 -0.719 -11.521 1.00 0.28 C ATOM 1559 C LEU A 96 -7.828 0.096 -11.176 1.00 0.28 C ATOM 1560 O LEU A 96 -7.776 1.301 -11.428 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.134 -0.505 -10.460 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.551 -0.912 -10.867 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.531 -0.581 -9.755 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -11.958 -0.220 -12.159 1.00 1.25 C ATOM 0 H LEU A 96 -8.979 -2.690 -10.822 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.440 -0.381 -12.486 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -9.855 -1.066 -9.568 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.142 0.549 -10.184 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.567 -1.988 -11.038 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.536 -0.875 -10.056 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -12.251 -1.121 -8.850 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.510 0.491 -9.559 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -12.969 -0.523 -12.431 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -11.929 0.860 -12.018 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.268 -0.501 -12.955 1.00 1.25 H new ATOM 1576 N GLY A 97 -6.835 -0.554 -10.594 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.611 0.138 -10.271 1.00 0.21 C ATOM 1578 C GLY A 97 -4.919 -0.384 -9.026 1.00 0.20 C ATOM 1579 O GLY A 97 -4.163 0.350 -8.393 1.00 0.35 O ATOM 0 H GLY A 97 -6.855 -1.542 -10.341 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -4.927 0.058 -11.116 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -5.829 1.197 -10.136 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.199 -1.619 -8.632 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.419 -2.259 -7.589 1.00 0.13 C ATOM 1585 C ALA A 98 -3.232 -2.969 -8.215 1.00 0.14 C ATOM 1586 O ALA A 98 -3.341 -3.537 -9.293 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.269 -3.225 -6.765 1.00 0.17 C ATOM 0 H ALA A 98 -5.952 -2.190 -9.016 1.00 0.15 H new ATOM 0 HA ALA A 98 -4.057 -1.494 -6.902 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.652 -3.686 -5.994 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -6.088 -2.680 -6.297 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.674 -4.000 -7.416 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.093 -2.901 -7.564 1.00 0.15 N ATOM 1594 CA LEU A 99 -0.905 -3.544 -8.071 1.00 0.16 C ATOM 1595 C LEU A 99 -0.915 -4.999 -7.701 1.00 0.15 C ATOM 1596 O LEU A 99 -0.703 -5.879 -8.533 1.00 0.17 O ATOM 1597 CB LEU A 99 0.327 -2.925 -7.455 1.00 0.18 C ATOM 1598 CG LEU A 99 0.327 -1.408 -7.431 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.489 -0.883 -6.604 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.379 -0.858 -8.850 1.00 0.18 C ATOM 0 H LEU A 99 -1.965 -2.406 -6.681 1.00 0.15 H new ATOM 0 HA LEU A 99 -0.890 -3.422 -9.154 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.430 -3.291 -6.434 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.203 -3.267 -8.006 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.598 -1.069 -6.964 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.470 0.207 -6.600 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.403 -1.251 -5.582 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.428 -1.228 -7.036 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.378 0.232 -8.818 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.287 -1.206 -9.342 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.491 -1.205 -9.407 1.00 0.18 H new ATOM 1612 N THR A 100 -1.177 -5.238 -6.432 1.00 0.14 N ATOM 1613 CA THR A 100 -1.064 -6.562 -5.883 1.00 0.14 C ATOM 1614 C THR A 100 -2.127 -6.824 -4.827 1.00 0.15 C ATOM 1615 O THR A 100 -2.559 -5.909 -4.129 1.00 0.13 O ATOM 1616 CB THR A 100 0.315 -6.751 -5.239 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.510 -5.729 -4.262 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.427 -6.680 -6.272 1.00 0.16 C ATOM 0 H THR A 100 -1.470 -4.525 -5.764 1.00 0.14 H new ATOM 0 HA THR A 100 -1.201 -7.264 -6.705 1.00 0.14 H new ATOM 0 HB THR A 100 0.349 -7.738 -4.777 1.00 0.16 H new ATOM 0 HG1 THR A 100 1.049 -6.081 -3.523 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.390 -6.818 -5.780 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.284 -7.464 -7.015 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.406 -5.707 -6.763 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.515 -8.086 -4.713 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.430 -8.522 -3.677 1.00 0.27 C ATOM 1628 C ALA A 101 -2.684 -9.354 -2.640 1.00 0.36 C ATOM 1629 O ALA A 101 -2.608 -10.578 -2.753 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.580 -9.319 -4.281 1.00 0.36 C ATOM 0 H ALA A 101 -2.204 -8.832 -5.336 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.848 -7.644 -3.184 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.257 -9.638 -3.489 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.122 -8.695 -4.992 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.185 -10.195 -4.795 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.107 -8.686 -1.652 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.347 -9.365 -0.609 1.00 0.58 C ATOM 1638 C PHE A 102 -2.270 -9.867 0.488 1.00 0.39 C ATOM 1639 O PHE A 102 -3.264 -9.222 0.825 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.286 -8.441 -0.012 1.00 0.92 C ATOM 1641 CG PHE A 102 1.013 -8.455 -0.763 1.00 1.68 C ATOM 1642 CD1 PHE A 102 1.868 -9.540 -0.663 1.00 2.38 C ATOM 1643 CD2 PHE A 102 1.380 -7.393 -1.567 1.00 2.35 C ATOM 1644 CE1 PHE A 102 3.065 -9.564 -1.351 1.00 3.38 C ATOM 1645 CE2 PHE A 102 2.578 -7.409 -2.257 1.00 3.44 C ATOM 1646 CZ PHE A 102 3.421 -8.497 -2.149 1.00 3.86 C ATOM 0 H PHE A 102 -2.150 -7.672 -1.549 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.846 -10.218 -1.067 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -0.673 -7.422 0.009 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -0.102 -8.733 1.022 1.00 0.92 H new ATOM 0 HD1 PHE A 102 1.595 -10.378 -0.039 1.00 2.38 H new ATOM 0 HD2 PHE A 102 0.723 -6.540 -1.658 1.00 2.35 H new ATOM 0 HE1 PHE A 102 3.722 -10.417 -1.264 1.00 3.38 H new ATOM 0 HE2 PHE A 102 2.854 -6.571 -2.880 1.00 3.44 H new ATOM 0 HZ PHE A 102 4.357 -8.513 -2.688 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.950 -11.032 1.024 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.676 -11.578 2.151 1.00 0.44 C ATOM 1658 C ALA A 103 -1.953 -11.221 3.439 1.00 0.65 C ATOM 1659 O ALA A 103 -0.906 -10.576 3.406 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.812 -13.086 2.001 1.00 0.57 C ATOM 0 H ALA A 103 -1.186 -11.620 0.692 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.678 -11.150 2.184 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -3.359 -13.489 2.853 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -3.353 -13.313 1.082 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.821 -13.538 1.960 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.511 -11.616 4.573 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.862 -11.353 5.849 1.00 1.12 C ATOM 1668 C LYS A 104 -0.711 -12.328 6.139 1.00 1.08 C ATOM 1669 O LYS A 104 0.224 -11.962 6.849 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.878 -11.314 6.992 1.00 1.55 C ATOM 1671 CG LYS A 104 -3.761 -10.072 6.945 1.00 1.83 C ATOM 1672 CD LYS A 104 -2.920 -8.814 6.762 1.00 2.48 C ATOM 1673 CE LYS A 104 -3.771 -7.578 6.494 1.00 2.95 C ATOM 1674 NZ LYS A 104 -4.307 -6.970 7.738 1.00 3.35 N ATOM 0 H LYS A 104 -3.399 -12.113 4.637 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.410 -10.364 5.775 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -3.506 -12.204 6.947 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -2.350 -11.345 7.945 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -4.475 -10.159 6.126 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -4.339 -9.997 7.866 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -2.318 -8.650 7.656 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -2.227 -8.961 5.933 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -3.173 -6.839 5.962 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -4.600 -7.848 5.840 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -5.183 -6.452 7.522 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -4.510 -7.719 8.431 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -3.605 -6.313 8.134 1.00 3.35 H new ATOM 1688 N PRO A 105 -0.742 -13.588 5.648 1.00 1.09 N ATOM 1689 CA PRO A 105 0.478 -14.391 5.578 1.00 1.13 C ATOM 1690 C PRO A 105 1.456 -13.766 4.586 1.00 0.95 C ATOM 1691 O PRO A 105 1.344 -13.961 3.375 1.00 0.91 O ATOM 1692 CB PRO A 105 0.005 -15.763 5.083 1.00 1.28 C ATOM 1693 CG PRO A 105 -1.469 -15.776 5.311 1.00 1.36 C ATOM 1694 CD PRO A 105 -1.923 -14.349 5.207 1.00 1.17 C ATOM 0 HA PRO A 105 0.997 -14.457 6.534 1.00 1.13 H new ATOM 0 HB2 PRO A 105 0.241 -15.904 4.028 1.00 1.28 H new ATOM 0 HB3 PRO A 105 0.495 -16.569 5.630 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -1.972 -16.399 4.571 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -1.707 -16.190 6.291 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -2.211 -14.091 4.188 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -2.788 -14.154 5.841 1.00 1.17 H new ATOM 1702 N PHE A 106 2.394 -12.993 5.109 1.00 0.92 N ATOM 1703 CA PHE A 106 3.292 -12.200 4.276 1.00 0.81 C ATOM 1704 C PHE A 106 4.746 -12.402 4.674 1.00 0.81 C ATOM 1705 O PHE A 106 5.066 -12.581 5.847 1.00 0.86 O ATOM 1706 CB PHE A 106 2.923 -10.717 4.395 1.00 0.76 C ATOM 1707 CG PHE A 106 3.262 -10.102 5.731 1.00 0.80 C ATOM 1708 CD1 PHE A 106 2.735 -10.622 6.900 1.00 0.98 C ATOM 1709 CD2 PHE A 106 4.092 -8.997 5.815 1.00 0.76 C ATOM 1710 CE1 PHE A 106 3.032 -10.053 8.122 1.00 1.10 C ATOM 1711 CE2 PHE A 106 4.393 -8.427 7.032 1.00 0.85 C ATOM 1712 CZ PHE A 106 3.906 -8.988 8.190 1.00 1.02 C ATOM 0 H PHE A 106 2.556 -12.896 6.111 1.00 0.92 H new ATOM 0 HA PHE A 106 3.179 -12.530 3.243 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.437 -10.162 3.611 1.00 0.76 H new ATOM 0 HB3 PHE A 106 1.854 -10.604 4.216 1.00 0.76 H new ATOM 0 HD1 PHE A 106 2.084 -11.483 6.856 1.00 0.98 H new ATOM 0 HD2 PHE A 106 4.510 -8.576 4.913 1.00 0.76 H new ATOM 0 HE1 PHE A 106 2.581 -10.441 9.023 1.00 1.10 H new ATOM 0 HE2 PHE A 106 5.010 -7.542 7.077 1.00 0.85 H new ATOM 0 HZ PHE A 106 4.207 -8.595 9.150 1.00 1.02 H new ATOM 1722 N ASP A 107 5.626 -12.353 3.689 1.00 0.79 N ATOM 1723 CA ASP A 107 7.058 -12.505 3.924 1.00 0.82 C ATOM 1724 C ASP A 107 7.711 -11.185 4.282 1.00 0.73 C ATOM 1725 O ASP A 107 8.929 -11.080 4.207 1.00 0.72 O ATOM 1726 CB ASP A 107 7.741 -13.075 2.684 1.00 0.88 C ATOM 1727 CG ASP A 107 8.184 -14.510 2.874 1.00 1.35 C ATOM 1728 OD1 ASP A 107 9.323 -14.732 3.330 1.00 1.77 O ATOM 1729 OD2 ASP A 107 7.388 -15.420 2.570 1.00 1.63 O ATOM 0 H ASP A 107 5.375 -12.208 2.711 1.00 0.79 H new ATOM 0 HA ASP A 107 7.175 -13.190 4.764 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.056 -13.019 1.838 1.00 0.88 H new ATOM 0 HB3 ASP A 107 8.606 -12.461 2.435 1.00 0.88 H new ATOM 1734 N ILE A 108 6.883 -10.211 4.700 1.00 0.73 N ATOM 1735 CA ILE A 108 7.288 -8.812 4.983 1.00 0.71 C ATOM 1736 C ILE A 108 8.144 -8.192 3.857 1.00 0.66 C ATOM 1737 O ILE A 108 7.681 -7.290 3.145 1.00 0.63 O ATOM 1738 CB ILE A 108 7.952 -8.631 6.394 1.00 0.77 C ATOM 1739 CG1 ILE A 108 8.226 -7.145 6.683 1.00 0.67 C ATOM 1740 CG2 ILE A 108 9.226 -9.449 6.568 1.00 1.33 C ATOM 1741 CD1 ILE A 108 9.057 -6.913 7.929 1.00 1.39 C ATOM 0 H ILE A 108 5.888 -10.373 4.856 1.00 0.73 H new ATOM 0 HA ILE A 108 6.356 -8.248 5.011 1.00 0.71 H new ATOM 0 HB ILE A 108 7.233 -9.013 7.119 1.00 0.77 H new ATOM 0 HG12 ILE A 108 8.739 -6.705 5.827 1.00 0.67 H new ATOM 0 HG13 ILE A 108 7.275 -6.622 6.788 1.00 0.67 H new ATOM 0 HG21 ILE A 108 9.635 -9.279 7.564 1.00 1.33 H new ATOM 0 HG22 ILE A 108 8.998 -10.508 6.445 1.00 1.33 H new ATOM 0 HG23 ILE A 108 9.958 -9.146 5.819 1.00 1.33 H new ATOM 0 HD11 ILE A 108 9.210 -5.843 8.070 1.00 1.39 H new ATOM 0 HD12 ILE A 108 8.537 -7.322 8.795 1.00 1.39 H new ATOM 0 HD13 ILE A 108 10.023 -7.407 7.819 1.00 1.39 H new ATOM 1753 N ASP A 109 9.359 -8.693 3.670 1.00 0.68 N ATOM 1754 CA ASP A 109 10.251 -8.214 2.625 1.00 0.67 C ATOM 1755 C ASP A 109 9.621 -8.356 1.253 1.00 0.62 C ATOM 1756 O ASP A 109 9.887 -7.552 0.386 1.00 0.58 O ATOM 1757 CB ASP A 109 11.581 -8.966 2.652 1.00 0.73 C ATOM 1758 CG ASP A 109 12.492 -8.607 1.491 1.00 0.95 C ATOM 1759 OD1 ASP A 109 13.184 -7.574 1.569 1.00 1.16 O ATOM 1760 OD2 ASP A 109 12.535 -9.368 0.505 1.00 1.08 O ATOM 0 H ASP A 109 9.752 -9.443 4.239 1.00 0.68 H new ATOM 0 HA ASP A 109 10.434 -7.157 2.820 1.00 0.67 H new ATOM 0 HB2 ASP A 109 12.094 -8.750 3.589 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.386 -10.038 2.635 1.00 0.73 H new ATOM 1765 N GLU A 110 8.763 -9.356 1.053 1.00 0.65 N ATOM 1766 CA GLU A 110 8.156 -9.545 -0.261 1.00 0.64 C ATOM 1767 C GLU A 110 7.220 -8.386 -0.578 1.00 0.59 C ATOM 1768 O GLU A 110 7.022 -8.038 -1.738 1.00 0.58 O ATOM 1769 CB GLU A 110 7.393 -10.873 -0.346 1.00 0.68 C ATOM 1770 CG GLU A 110 6.092 -10.901 0.447 1.00 0.67 C ATOM 1771 CD GLU A 110 5.274 -12.138 0.168 1.00 0.72 C ATOM 1772 OE1 GLU A 110 5.010 -12.427 -1.018 1.00 0.72 O ATOM 1773 OE2 GLU A 110 4.883 -12.817 1.133 1.00 0.84 O ATOM 0 H GLU A 110 8.479 -10.030 1.764 1.00 0.65 H new ATOM 0 HA GLU A 110 8.960 -9.574 -0.996 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.172 -11.085 -1.392 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.040 -11.674 0.012 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.318 -10.851 1.512 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.503 -10.017 0.204 1.00 0.67 H new ATOM 1780 N ILE A 111 6.662 -7.781 0.462 1.00 0.57 N ATOM 1781 CA ILE A 111 5.772 -6.643 0.286 1.00 0.54 C ATOM 1782 C ILE A 111 6.574 -5.366 0.077 1.00 0.48 C ATOM 1783 O ILE A 111 6.236 -4.554 -0.782 1.00 0.46 O ATOM 1784 CB ILE A 111 4.817 -6.487 1.484 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.091 -7.806 1.750 1.00 0.69 C ATOM 1786 CG2 ILE A 111 3.812 -5.383 1.213 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.004 -7.699 2.797 1.00 0.74 C ATOM 0 H ILE A 111 6.809 -8.058 1.432 1.00 0.57 H new ATOM 0 HA ILE A 111 5.168 -6.827 -0.602 1.00 0.54 H new ATOM 0 HB ILE A 111 5.400 -6.221 2.366 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.653 -8.164 0.818 1.00 0.69 H new ATOM 0 HG13 ILE A 111 4.818 -8.553 2.068 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.143 -5.283 2.067 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.339 -4.443 1.053 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.231 -5.630 0.324 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.533 -8.672 2.933 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.439 -7.371 3.741 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.256 -6.976 2.472 1.00 0.74 H new ATOM 1799 N ARG A 112 7.653 -5.193 0.836 1.00 0.48 N ATOM 1800 CA ARG A 112 8.518 -4.033 0.624 1.00 0.46 C ATOM 1801 C ARG A 112 9.231 -4.178 -0.710 1.00 0.47 C ATOM 1802 O ARG A 112 9.511 -3.200 -1.405 1.00 0.47 O ATOM 1803 CB ARG A 112 9.529 -3.848 1.776 1.00 0.48 C ATOM 1804 CG ARG A 112 10.743 -4.772 1.741 1.00 0.51 C ATOM 1805 CD ARG A 112 11.825 -4.255 0.798 1.00 0.50 C ATOM 1806 NE ARG A 112 13.017 -5.092 0.826 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.256 -4.642 0.651 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.504 -3.333 0.624 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.255 -5.507 0.568 1.00 0.72 N ATOM 0 H ARG A 112 7.945 -5.822 1.584 1.00 0.48 H new ATOM 0 HA ARG A 112 7.897 -3.137 0.609 1.00 0.46 H new ATOM 0 HB2 ARG A 112 9.880 -2.816 1.766 1.00 0.48 H new ATOM 0 HB3 ARG A 112 9.007 -3.998 2.721 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.154 -4.870 2.746 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.432 -5.768 1.425 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.433 -4.217 -0.218 1.00 0.50 H new ATOM 0 HD3 ARG A 112 12.091 -3.235 1.076 1.00 0.50 H new ATOM 0 HE ARG A 112 12.893 -6.091 0.991 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.740 -2.667 0.738 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.458 -2.997 0.489 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.070 -6.508 0.638 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.209 -5.173 0.434 1.00 0.72 H new ATOM 1823 N ASP A 113 9.521 -5.415 -1.063 1.00 0.50 N ATOM 1824 CA ASP A 113 10.202 -5.693 -2.296 1.00 0.53 C ATOM 1825 C ASP A 113 9.253 -5.426 -3.451 1.00 0.54 C ATOM 1826 O ASP A 113 9.655 -4.926 -4.499 1.00 0.59 O ATOM 1827 CB ASP A 113 10.698 -7.137 -2.343 1.00 0.58 C ATOM 1828 CG ASP A 113 11.618 -7.379 -3.519 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.823 -7.100 -3.406 1.00 0.77 O ATOM 1830 OD2 ASP A 113 11.134 -7.868 -4.562 1.00 0.78 O ATOM 0 H ASP A 113 9.292 -6.239 -0.507 1.00 0.50 H new ATOM 0 HA ASP A 113 11.075 -5.044 -2.372 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.223 -7.371 -1.417 1.00 0.58 H new ATOM 0 HB3 ASP A 113 9.845 -7.812 -2.405 1.00 0.58 H new ATOM 1835 N ALA A 114 7.979 -5.751 -3.223 1.00 0.54 N ATOM 1836 CA ALA A 114 6.925 -5.521 -4.202 1.00 0.57 C ATOM 1837 C ALA A 114 6.689 -4.035 -4.427 1.00 0.52 C ATOM 1838 O ALA A 114 6.570 -3.587 -5.569 1.00 0.57 O ATOM 1839 CB ALA A 114 5.633 -6.196 -3.770 1.00 0.59 C ATOM 0 H ALA A 114 7.654 -6.179 -2.356 1.00 0.54 H new ATOM 0 HA ALA A 114 7.253 -5.958 -5.145 1.00 0.57 H new ATOM 0 HB1 ALA A 114 4.859 -6.012 -4.515 1.00 0.59 H new ATOM 0 HB2 ALA A 114 5.797 -7.269 -3.675 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.315 -5.792 -2.809 1.00 0.59 H new ATOM 1845 N VAL A 115 6.619 -3.261 -3.351 1.00 0.46 N ATOM 1846 CA VAL A 115 6.404 -1.835 -3.507 1.00 0.41 C ATOM 1847 C VAL A 115 7.561 -1.209 -4.289 1.00 0.45 C ATOM 1848 O VAL A 115 7.344 -0.413 -5.200 1.00 0.47 O ATOM 1849 CB VAL A 115 6.190 -1.087 -2.169 1.00 0.34 C ATOM 1850 CG1 VAL A 115 4.957 -1.620 -1.464 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.400 -1.170 -1.255 1.00 0.37 C ATOM 0 H VAL A 115 6.706 -3.588 -2.389 1.00 0.46 H new ATOM 0 HA VAL A 115 5.475 -1.725 -4.066 1.00 0.41 H new ATOM 0 HB VAL A 115 6.045 -0.034 -2.408 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.816 -1.087 -0.524 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.083 -1.473 -2.099 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.085 -2.684 -1.262 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.196 -0.629 -0.331 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.611 -2.214 -1.025 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.263 -0.727 -1.752 1.00 0.37 H new ATOM 1861 N LYS A 116 8.783 -1.629 -3.954 1.00 0.50 N ATOM 1862 CA LYS A 116 9.995 -1.165 -4.632 1.00 0.59 C ATOM 1863 C LYS A 116 10.006 -1.583 -6.109 1.00 0.69 C ATOM 1864 O LYS A 116 10.268 -0.768 -6.992 1.00 0.85 O ATOM 1865 CB LYS A 116 11.219 -1.766 -3.928 1.00 0.76 C ATOM 1866 CG LYS A 116 12.521 -1.633 -4.707 1.00 1.16 C ATOM 1867 CD LYS A 116 13.336 -2.919 -4.641 1.00 0.92 C ATOM 1868 CE LYS A 116 12.667 -4.038 -5.427 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.402 -5.327 -5.327 1.00 1.04 N ATOM 0 H LYS A 116 8.960 -2.300 -3.206 1.00 0.50 H new ATOM 0 HA LYS A 116 10.021 -0.076 -4.587 1.00 0.59 H new ATOM 0 HB2 LYS A 116 11.339 -1.283 -2.958 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.031 -2.822 -3.737 1.00 0.76 H new ATOM 0 HG2 LYS A 116 12.303 -1.391 -5.747 1.00 1.16 H new ATOM 0 HG3 LYS A 116 13.107 -0.807 -4.303 1.00 1.16 H new ATOM 0 HD2 LYS A 116 14.335 -2.740 -5.038 1.00 0.92 H new ATOM 0 HD3 LYS A 116 13.456 -3.223 -3.601 1.00 0.92 H new ATOM 0 HE2 LYS A 116 11.649 -4.175 -5.062 1.00 0.80 H new ATOM 0 HE3 LYS A 116 12.593 -3.747 -6.475 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 12.985 -6.017 -5.984 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.402 -5.177 -5.572 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 13.335 -5.691 -4.355 1.00 1.04 H new ATOM 1883 N LYS A 117 9.746 -2.869 -6.371 1.00 0.71 N ATOM 1884 CA LYS A 117 9.800 -3.401 -7.735 1.00 0.81 C ATOM 1885 C LYS A 117 8.813 -2.685 -8.651 1.00 0.79 C ATOM 1886 O LYS A 117 9.053 -2.563 -9.853 1.00 0.90 O ATOM 1887 CB LYS A 117 9.542 -4.915 -7.764 1.00 0.89 C ATOM 1888 CG LYS A 117 8.226 -5.320 -7.134 1.00 0.85 C ATOM 1889 CD LYS A 117 7.870 -6.780 -7.394 1.00 1.09 C ATOM 1890 CE LYS A 117 8.691 -7.737 -6.538 1.00 1.08 C ATOM 1891 NZ LYS A 117 10.058 -7.964 -7.077 1.00 1.48 N ATOM 0 H LYS A 117 9.497 -3.557 -5.660 1.00 0.71 H new ATOM 0 HA LYS A 117 10.809 -3.220 -8.104 1.00 0.81 H new ATOM 0 HB2 LYS A 117 9.560 -5.258 -8.798 1.00 0.89 H new ATOM 0 HB3 LYS A 117 10.355 -5.423 -7.245 1.00 0.89 H new ATOM 0 HG2 LYS A 117 8.276 -5.149 -6.059 1.00 0.85 H new ATOM 0 HG3 LYS A 117 7.431 -4.683 -7.522 1.00 0.85 H new ATOM 0 HD2 LYS A 117 6.810 -6.935 -7.193 1.00 1.09 H new ATOM 0 HD3 LYS A 117 8.031 -7.009 -8.447 1.00 1.09 H new ATOM 0 HE2 LYS A 117 8.766 -7.339 -5.526 1.00 1.08 H new ATOM 0 HE3 LYS A 117 8.170 -8.692 -6.467 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 10.180 -8.972 -7.301 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 10.189 -7.399 -7.940 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 10.763 -7.680 -6.367 1.00 1.48 H new ATOM 1905 N TYR A 118 7.701 -2.223 -8.096 1.00 0.69 N ATOM 1906 CA TYR A 118 6.773 -1.413 -8.870 1.00 0.68 C ATOM 1907 C TYR A 118 7.234 0.038 -8.916 1.00 0.69 C ATOM 1908 O TYR A 118 7.653 0.533 -9.964 1.00 0.77 O ATOM 1909 CB TYR A 118 5.353 -1.501 -8.310 1.00 0.64 C ATOM 1910 CG TYR A 118 4.615 -2.765 -8.692 1.00 0.88 C ATOM 1911 CD1 TYR A 118 4.055 -2.916 -9.952 1.00 1.48 C ATOM 1912 CD2 TYR A 118 4.490 -3.814 -7.787 1.00 1.04 C ATOM 1913 CE1 TYR A 118 3.390 -4.075 -10.302 1.00 1.86 C ATOM 1914 CE2 TYR A 118 3.829 -4.976 -8.132 1.00 1.43 C ATOM 1915 CZ TYR A 118 3.236 -5.075 -9.396 1.00 1.73 C ATOM 1916 OH TYR A 118 2.625 -6.263 -9.738 1.00 2.21 O ATOM 0 H TYR A 118 7.423 -2.392 -7.129 1.00 0.69 H new ATOM 0 HA TYR A 118 6.759 -1.809 -9.886 1.00 0.68 H new ATOM 0 HB2 TYR A 118 5.398 -1.434 -7.223 1.00 0.64 H new ATOM 0 HB3 TYR A 118 4.782 -0.640 -8.659 1.00 0.64 H new ATOM 0 HD1 TYR A 118 4.140 -2.115 -10.671 1.00 1.48 H new ATOM 0 HD2 TYR A 118 4.917 -3.718 -6.799 1.00 1.04 H new ATOM 0 HE1 TYR A 118 2.991 -4.186 -11.299 1.00 1.86 H new ATOM 0 HE2 TYR A 118 3.770 -5.799 -7.435 1.00 1.43 H new ATOM 0 HH TYR A 118 2.607 -6.858 -8.959 1.00 2.21 H new ATOM 1926 N LEU A 119 7.173 0.711 -7.781 1.00 0.66 N ATOM 1927 CA LEU A 119 7.584 2.101 -7.696 1.00 0.69 C ATOM 1928 C LEU A 119 8.692 2.231 -6.668 1.00 0.72 C ATOM 1929 O LEU A 119 8.446 2.156 -5.471 1.00 0.79 O ATOM 1930 CB LEU A 119 6.408 3.018 -7.332 1.00 0.71 C ATOM 1931 CG LEU A 119 5.344 3.193 -8.420 1.00 1.34 C ATOM 1932 CD1 LEU A 119 4.429 1.980 -8.498 1.00 2.00 C ATOM 1933 CD2 LEU A 119 4.541 4.455 -8.167 1.00 2.09 C ATOM 0 H LEU A 119 6.841 0.315 -6.901 1.00 0.66 H new ATOM 0 HA LEU A 119 7.948 2.414 -8.674 1.00 0.69 H new ATOM 0 HB2 LEU A 119 5.926 2.623 -6.438 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.803 4.001 -7.074 1.00 0.71 H new ATOM 0 HG LEU A 119 5.851 3.286 -9.380 1.00 1.34 H new ATOM 0 HD11 LEU A 119 3.685 2.135 -9.279 1.00 2.00 H new ATOM 0 HD12 LEU A 119 5.019 1.093 -8.730 1.00 2.00 H new ATOM 0 HD13 LEU A 119 3.926 1.841 -7.541 1.00 2.00 H new ATOM 0 HD21 LEU A 119 3.788 4.569 -8.946 1.00 2.09 H new ATOM 0 HD22 LEU A 119 4.051 4.386 -7.196 1.00 2.09 H new ATOM 0 HD23 LEU A 119 5.207 5.318 -8.177 1.00 2.09 H new ATOM 1945 N PRO A 120 9.933 2.376 -7.130 1.00 0.72 N ATOM 1946 CA PRO A 120 11.095 2.387 -6.265 1.00 0.75 C ATOM 1947 C PRO A 120 11.604 3.783 -5.905 1.00 0.77 C ATOM 1948 O PRO A 120 11.437 4.743 -6.661 1.00 0.92 O ATOM 1949 CB PRO A 120 12.112 1.677 -7.140 1.00 0.79 C ATOM 1950 CG PRO A 120 11.792 2.135 -8.532 1.00 0.78 C ATOM 1951 CD PRO A 120 10.322 2.496 -8.543 1.00 0.75 C ATOM 0 HA PRO A 120 10.887 1.935 -5.295 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.131 1.942 -6.859 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.027 0.594 -7.049 1.00 0.79 H new ATOM 0 HG2 PRO A 120 12.404 2.994 -8.807 1.00 0.78 H new ATOM 0 HG3 PRO A 120 12.003 1.348 -9.257 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.159 3.505 -8.921 1.00 0.75 H new ATOM 0 HD3 PRO A 120 9.747 1.821 -9.177 1.00 0.75 H new ATOM 1959 N LEU A 121 12.249 3.870 -4.750 1.00 0.70 N ATOM 1960 CA LEU A 121 12.927 5.085 -4.338 1.00 0.69 C ATOM 1961 C LEU A 121 14.360 4.733 -3.967 1.00 0.82 C ATOM 1962 O LEU A 121 15.312 5.153 -4.622 1.00 1.00 O ATOM 1963 CB LEU A 121 12.222 5.707 -3.128 1.00 0.55 C ATOM 1964 CG LEU A 121 12.306 7.234 -3.000 1.00 0.58 C ATOM 1965 CD1 LEU A 121 11.800 7.655 -1.637 1.00 1.23 C ATOM 1966 CD2 LEU A 121 13.723 7.750 -3.218 1.00 1.25 C ATOM 0 H LEU A 121 12.315 3.105 -4.079 1.00 0.70 H new ATOM 0 HA LEU A 121 12.911 5.807 -5.155 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.170 5.424 -3.163 1.00 0.55 H new ATOM 0 HB3 LEU A 121 12.641 5.265 -2.224 1.00 0.55 H new ATOM 0 HG LEU A 121 11.681 7.671 -3.779 1.00 0.58 H new ATOM 0 HD11 LEU A 121 11.860 8.740 -1.546 1.00 1.23 H new ATOM 0 HD12 LEU A 121 10.764 7.337 -1.519 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.412 7.192 -0.863 1.00 1.23 H new ATOM 0 HD21 LEU A 121 13.734 8.835 -3.118 1.00 1.25 H new ATOM 0 HD22 LEU A 121 14.389 7.310 -2.475 1.00 1.25 H new ATOM 0 HD23 LEU A 121 14.061 7.474 -4.217 1.00 1.25 H new ATOM 1978 N LYS A 122 14.491 3.939 -2.912 1.00 0.82 N ATOM 1979 CA LYS A 122 15.797 3.529 -2.412 1.00 1.05 C ATOM 1980 C LYS A 122 15.798 2.042 -2.103 1.00 1.07 C ATOM 1981 O LYS A 122 16.688 1.313 -2.536 1.00 1.32 O ATOM 1982 CB LYS A 122 16.144 4.268 -1.120 1.00 1.11 C ATOM 1983 CG LYS A 122 15.978 5.776 -1.171 1.00 1.18 C ATOM 1984 CD LYS A 122 16.136 6.370 0.219 1.00 1.87 C ATOM 1985 CE LYS A 122 15.846 7.860 0.248 1.00 2.07 C ATOM 1986 NZ LYS A 122 15.922 8.395 1.632 1.00 2.78 N ATOM 0 H LYS A 122 13.703 3.564 -2.383 1.00 0.82 H new ATOM 0 HA LYS A 122 16.529 3.764 -3.185 1.00 1.05 H new ATOM 0 HB2 LYS A 122 15.518 3.877 -0.318 1.00 1.11 H new ATOM 0 HB3 LYS A 122 17.177 4.041 -0.857 1.00 1.11 H new ATOM 0 HG2 LYS A 122 16.718 6.208 -1.845 1.00 1.18 H new ATOM 0 HG3 LYS A 122 14.996 6.028 -1.572 1.00 1.18 H new ATOM 0 HD2 LYS A 122 15.464 5.858 0.908 1.00 1.87 H new ATOM 0 HD3 LYS A 122 17.152 6.193 0.573 1.00 1.87 H new ATOM 0 HE2 LYS A 122 16.560 8.385 -0.387 1.00 2.07 H new ATOM 0 HE3 LYS A 122 14.854 8.048 -0.164 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 15.719 9.415 1.621 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 15.224 7.910 2.231 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 16.876 8.235 2.014 1.00 2.78 H new ATOM 2000 N SER A 123 14.779 1.622 -1.339 1.00 0.92 N ATOM 2001 CA SER A 123 14.683 0.270 -0.773 1.00 1.00 C ATOM 2002 C SER A 123 15.940 -0.037 0.034 1.00 1.56 C ATOM 2003 O SER A 123 16.918 -0.588 -0.472 1.00 2.17 O ATOM 2004 CB SER A 123 14.400 -0.806 -1.840 1.00 0.86 C ATOM 2005 OG SER A 123 15.355 -0.793 -2.886 1.00 1.48 O ATOM 0 H SER A 123 13.989 2.219 -1.094 1.00 0.92 H new ATOM 0 HA SER A 123 13.822 0.244 -0.105 1.00 1.00 H new ATOM 0 HB2 SER A 123 14.395 -1.789 -1.369 1.00 0.86 H new ATOM 0 HB3 SER A 123 13.406 -0.647 -2.257 1.00 0.86 H new ATOM 0 HG SER A 123 16.110 -0.222 -2.632 1.00 1.48 H new ATOM 2011 N ASN A 124 15.896 0.336 1.300 1.00 2.15 N ATOM 2012 CA ASN A 124 17.093 0.430 2.115 1.00 2.87 C ATOM 2013 C ASN A 124 17.075 -0.576 3.262 1.00 3.13 C ATOM 2014 O ASN A 124 16.017 -0.914 3.788 1.00 3.71 O ATOM 2015 CB ASN A 124 17.206 1.862 2.650 1.00 3.66 C ATOM 2016 CG ASN A 124 18.368 2.050 3.595 1.00 4.66 C ATOM 2017 OD1 ASN A 124 18.227 1.862 4.797 1.00 5.26 O ATOM 2018 ND2 ASN A 124 19.519 2.427 3.063 1.00 5.20 N ATOM 0 H ASN A 124 15.035 0.581 1.790 1.00 2.15 H new ATOM 0 HA ASN A 124 17.961 0.191 1.501 1.00 2.87 H new ATOM 0 HB2 ASN A 124 17.312 2.550 1.811 1.00 3.66 H new ATOM 0 HB3 ASN A 124 16.281 2.126 3.163 1.00 3.66 H new ATOM 0 HD21 ASN A 124 20.333 2.572 3.660 1.00 5.20 H new ATOM 0 HD22 ASN A 124 19.592 2.572 2.056 1.00 5.20 H new ATOM 2025 N LEU A 125 18.249 -1.065 3.638 1.00 3.30 N ATOM 2026 CA LEU A 125 18.374 -2.004 4.747 1.00 4.11 C ATOM 2027 C LEU A 125 19.453 -1.542 5.722 1.00 4.82 C ATOM 2028 O LEU A 125 20.283 -2.335 6.163 1.00 5.53 O ATOM 2029 CB LEU A 125 18.704 -3.407 4.225 1.00 4.53 C ATOM 2030 CG LEU A 125 17.615 -4.065 3.371 1.00 5.13 C ATOM 2031 CD1 LEU A 125 18.081 -5.423 2.871 1.00 5.75 C ATOM 2032 CD2 LEU A 125 16.323 -4.208 4.162 1.00 5.59 C ATOM 0 H LEU A 125 19.133 -0.826 3.189 1.00 3.30 H new ATOM 0 HA LEU A 125 17.420 -2.040 5.274 1.00 4.11 H new ATOM 0 HB2 LEU A 125 19.619 -3.351 3.636 1.00 4.53 H new ATOM 0 HB3 LEU A 125 18.913 -4.053 5.078 1.00 4.53 H new ATOM 0 HG LEU A 125 17.422 -3.424 2.511 1.00 5.13 H new ATOM 0 HD11 LEU A 125 17.296 -5.877 2.266 1.00 5.75 H new ATOM 0 HD12 LEU A 125 18.979 -5.299 2.266 1.00 5.75 H new ATOM 0 HD13 LEU A 125 18.302 -6.068 3.722 1.00 5.75 H new ATOM 0 HD21 LEU A 125 15.564 -4.677 3.537 1.00 5.59 H new ATOM 0 HD22 LEU A 125 16.502 -4.826 5.042 1.00 5.59 H new ATOM 0 HD23 LEU A 125 15.977 -3.223 4.475 1.00 5.59 H new ATOM 2044 N GLU A 126 19.425 -0.252 6.063 1.00 5.03 N ATOM 2045 CA GLU A 126 20.403 0.330 6.985 1.00 6.01 C ATOM 2046 C GLU A 126 20.370 -0.353 8.348 1.00 6.63 C ATOM 2047 O GLU A 126 21.407 -0.528 8.987 1.00 6.74 O ATOM 2048 CB GLU A 126 20.151 1.833 7.177 1.00 6.68 C ATOM 2049 CG GLU A 126 18.798 2.155 7.795 1.00 7.19 C ATOM 2050 CD GLU A 126 18.680 3.597 8.238 1.00 8.09 C ATOM 2051 OE1 GLU A 126 19.185 3.936 9.326 1.00 8.65 O ATOM 2052 OE2 GLU A 126 18.083 4.401 7.489 1.00 8.43 O ATOM 0 H GLU A 126 18.734 0.411 5.713 1.00 5.03 H new ATOM 0 HA GLU A 126 21.385 0.177 6.537 1.00 6.01 H new ATOM 0 HB2 GLU A 126 20.937 2.246 7.810 1.00 6.68 H new ATOM 0 HB3 GLU A 126 20.226 2.331 6.210 1.00 6.68 H new ATOM 0 HG2 GLU A 126 18.013 1.937 7.071 1.00 7.19 H new ATOM 0 HG3 GLU A 126 18.631 1.502 8.652 1.00 7.19 H new ATOM 2059 N HIS A 127 19.176 -0.735 8.792 1.00 7.33 N ATOM 2060 CA HIS A 127 19.016 -1.299 10.123 1.00 8.24 C ATOM 2061 C HIS A 127 19.577 -2.704 10.191 1.00 8.84 C ATOM 2062 O HIS A 127 19.738 -3.379 9.175 1.00 8.87 O ATOM 2063 CB HIS A 127 17.553 -1.286 10.574 1.00 8.80 C ATOM 2064 CG HIS A 127 17.037 0.087 10.878 1.00 9.00 C ATOM 2065 ND1 HIS A 127 15.731 0.477 10.664 1.00 9.40 N ATOM 2066 CD2 HIS A 127 17.670 1.169 11.386 1.00 9.14 C ATOM 2067 CE1 HIS A 127 15.591 1.743 11.015 1.00 9.73 C ATOM 2068 NE2 HIS A 127 16.750 2.184 11.458 1.00 9.58 N ATOM 0 H HIS A 127 18.313 -0.664 8.253 1.00 7.33 H new ATOM 0 HA HIS A 127 19.581 -0.667 10.808 1.00 8.24 H new ATOM 0 HB2 HIS A 127 16.936 -1.734 9.795 1.00 8.80 H new ATOM 0 HB3 HIS A 127 17.448 -1.910 11.461 1.00 8.80 H new ATOM 0 HD2 HIS A 127 18.708 1.224 11.680 1.00 9.14 H new ATOM 0 HE1 HIS A 127 14.680 2.319 10.950 1.00 9.73 H new ATOM 0 HE2 HIS A 127 16.934 3.127 11.799 1.00 9.58 H new ATOM 2077 N HIS A 128 19.851 -3.142 11.398 1.00 9.55 N ATOM 2078 CA HIS A 128 20.552 -4.390 11.611 1.00 10.37 C ATOM 2079 C HIS A 128 19.567 -5.487 11.990 1.00 10.87 C ATOM 2080 O HIS A 128 18.946 -5.433 13.050 1.00 11.49 O ATOM 2081 CB HIS A 128 21.597 -4.198 12.709 1.00 11.23 C ATOM 2082 CG HIS A 128 22.857 -4.964 12.486 1.00 11.65 C ATOM 2083 ND1 HIS A 128 23.487 -5.320 11.345 1.00 12.20 N flip ATOM 2084 CD2 HIS A 128 23.639 -5.429 13.517 1.00 11.83 C flip ATOM 2085 CE1 HIS A 128 24.631 -5.987 11.704 1.00 12.67 C flip ATOM 2086 NE2 HIS A 128 24.695 -6.037 13.021 1.00 12.47 N flip ATOM 0 H HIS A 128 19.597 -2.649 12.254 1.00 9.55 H new ATOM 0 HA HIS A 128 21.054 -4.690 10.691 1.00 10.37 H new ATOM 0 HB2 HIS A 128 21.837 -3.138 12.787 1.00 11.23 H new ATOM 0 HB3 HIS A 128 21.165 -4.498 13.664 1.00 11.23 H new ATOM 0 HD2 HIS A 128 23.421 -5.313 14.568 1.00 11.83 H new ATOM 0 HE1 HIS A 128 25.358 -6.402 11.022 1.00 12.67 H new ATOM 0 HE2 HIS A 128 25.439 -6.474 13.564 1.00 12.47 H new ATOM 2095 N HIS A 129 19.415 -6.471 11.111 1.00 10.78 N ATOM 2096 CA HIS A 129 18.455 -7.550 11.324 1.00 11.47 C ATOM 2097 C HIS A 129 18.859 -8.397 12.530 1.00 12.43 C ATOM 2098 O HIS A 129 18.054 -8.647 13.426 1.00 12.92 O ATOM 2099 CB HIS A 129 18.361 -8.431 10.072 1.00 11.24 C ATOM 2100 CG HIS A 129 17.130 -9.288 10.007 1.00 11.36 C ATOM 2101 ND1 HIS A 129 16.312 -9.335 8.898 1.00 11.57 N ATOM 2102 CD2 HIS A 129 16.578 -10.133 10.909 1.00 11.54 C ATOM 2103 CE1 HIS A 129 15.317 -10.168 9.121 1.00 11.86 C ATOM 2104 NE2 HIS A 129 15.451 -10.667 10.335 1.00 11.85 N ATOM 0 H HIS A 129 19.945 -6.545 10.242 1.00 10.78 H new ATOM 0 HA HIS A 129 17.478 -7.108 11.520 1.00 11.47 H new ATOM 0 HB2 HIS A 129 18.391 -7.792 9.190 1.00 11.24 H new ATOM 0 HB3 HIS A 129 19.240 -9.075 10.029 1.00 11.24 H new ATOM 0 HD2 HIS A 129 16.955 -10.348 11.898 1.00 11.54 H new ATOM 0 HE1 HIS A 129 14.524 -10.403 8.427 1.00 11.86 H new ATOM 0 HE2 HIS A 129 14.821 -11.338 10.774 1.00 11.85 H new ATOM 2113 N HIS A 130 20.109 -8.832 12.542 1.00 12.86 N ATOM 2114 CA HIS A 130 20.622 -9.650 13.631 1.00 13.91 C ATOM 2115 C HIS A 130 21.376 -8.778 14.630 1.00 14.53 C ATOM 2116 O HIS A 130 22.241 -7.991 14.254 1.00 14.74 O ATOM 2117 CB HIS A 130 21.529 -10.762 13.083 1.00 14.42 C ATOM 2118 CG HIS A 130 22.215 -11.585 14.137 1.00 15.19 C ATOM 2119 ND1 HIS A 130 21.576 -12.559 14.876 1.00 15.61 N ATOM 2120 CD2 HIS A 130 23.497 -11.568 14.575 1.00 15.79 C ATOM 2121 CE1 HIS A 130 22.435 -13.101 15.720 1.00 16.39 C ATOM 2122 NE2 HIS A 130 23.604 -12.518 15.555 1.00 16.51 N ATOM 0 H HIS A 130 20.789 -8.632 11.808 1.00 12.86 H new ATOM 0 HA HIS A 130 19.784 -10.119 14.146 1.00 13.91 H new ATOM 0 HB2 HIS A 130 20.932 -11.424 12.455 1.00 14.42 H new ATOM 0 HB3 HIS A 130 22.287 -10.312 12.442 1.00 14.42 H new ATOM 0 HD2 HIS A 130 24.287 -10.925 14.218 1.00 15.79 H new ATOM 0 HE1 HIS A 130 22.216 -13.889 16.426 1.00 16.39 H new ATOM 0 HE2 HIS A 130 24.454 -12.739 16.074 1.00 16.51 H new ATOM 2131 N HIS A 131 21.038 -8.921 15.898 1.00 14.97 N ATOM 2132 CA HIS A 131 21.693 -8.164 16.953 1.00 15.74 C ATOM 2133 C HIS A 131 22.704 -9.047 17.669 1.00 16.72 C ATOM 2134 O HIS A 131 22.480 -10.243 17.840 1.00 17.05 O ATOM 2135 CB HIS A 131 20.665 -7.620 17.954 1.00 15.86 C ATOM 2136 CG HIS A 131 19.756 -6.566 17.392 1.00 16.30 C ATOM 2137 ND1 HIS A 131 19.945 -5.220 17.606 1.00 16.54 N ATOM 2138 CD2 HIS A 131 18.640 -6.668 16.629 1.00 16.69 C ATOM 2139 CE1 HIS A 131 18.988 -4.540 17.004 1.00 17.06 C ATOM 2140 NE2 HIS A 131 18.184 -5.394 16.403 1.00 17.15 N ATOM 0 H HIS A 131 20.311 -9.557 16.225 1.00 14.97 H new ATOM 0 HA HIS A 131 22.210 -7.317 16.502 1.00 15.74 H new ATOM 0 HB2 HIS A 131 20.059 -8.448 18.321 1.00 15.86 H new ATOM 0 HB3 HIS A 131 21.194 -7.207 18.813 1.00 15.86 H new ATOM 0 HD2 HIS A 131 18.193 -7.582 16.267 1.00 16.69 H new ATOM 0 HE1 HIS A 131 18.881 -3.465 17.004 1.00 17.06 H new ATOM 0 HE2 HIS A 131 17.357 -5.148 15.859 1.00 17.15 H new ATOM 2149 N HIS A 132 23.821 -8.459 18.066 1.00 17.28 N ATOM 2150 CA HIS A 132 24.863 -9.193 18.774 1.00 18.32 C ATOM 2151 C HIS A 132 25.301 -8.425 20.017 1.00 19.08 C ATOM 2152 O HIS A 132 24.817 -8.756 21.114 1.00 19.24 O ATOM 2153 CB HIS A 132 26.064 -9.498 17.853 1.00 18.50 C ATOM 2154 CG HIS A 132 26.510 -8.353 16.983 1.00 18.62 C ATOM 2155 ND1 HIS A 132 27.063 -7.194 17.476 1.00 18.99 N ATOM 2156 CD2 HIS A 132 26.478 -8.202 15.637 1.00 18.56 C ATOM 2157 CE1 HIS A 132 27.355 -6.383 16.480 1.00 19.14 C ATOM 2158 NE2 HIS A 132 27.011 -6.969 15.351 1.00 18.89 N ATOM 2159 OXT HIS A 132 26.076 -7.459 19.884 1.00 19.60 O ATOM 0 H HIS A 132 24.032 -7.473 17.911 1.00 17.28 H new ATOM 0 HA HIS A 132 24.449 -10.150 19.090 1.00 18.32 H new ATOM 0 HB2 HIS A 132 26.905 -9.813 18.471 1.00 18.50 H new ATOM 0 HB3 HIS A 132 25.806 -10.341 17.212 1.00 18.50 H new ATOM 0 HD1 HIS A 132 27.223 -6.993 18.463 1.00 18.99 H new ATOM 0 HD2 HIS A 132 26.103 -8.919 14.921 1.00 18.56 H new ATOM 0 HE1 HIS A 132 27.801 -5.404 16.573 1.00 19.14 H new TER 2168 HIS A 132