USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 63 GLN : amide:sc= -12.9! C(o=-12!,f=-22!) USER MOD Set 1.2: A 96 THR OG1 : rot -43:sc= 0.556 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.415 USER MOD Set 2.2: A 100 TYR OH : rot -37:sc= -2.92! USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= 0.85 F(o=-0.12,f=1.8) USER MOD Set 3.2: A 41 SER OG : rot -57:sc= 0.978 USER MOD Set 4.1: A 40 TYR OH : rot -51:sc= 0.231 USER MOD Set 4.2: A 70 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 17 ASN : amide:sc= -2.31! C(o=-2.3!,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.447 K(o=-0.45,f=-3.2!) USER MOD Single : A 32 TYR OH : rot 43:sc= -3.29! USER MOD Single : A 36 SER OG : rot -81:sc= -0.295 USER MOD Single : A 37 ASN :FLIP amide:sc= -2.64! C(o=-3.9!,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00477 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -5.14! C(o=-6.3!,f=-5.1!) USER MOD Single : A 59 LYS NZ :NH3+ -126:sc= -0.759 (180deg=-2.73!) USER MOD Single : A 60 TYR OH : rot 150:sc= -2.08! USER MOD Single : A 69 THR OG1 : rot -28:sc= -4.21! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.644 USER MOD Single : A 75 SER OG : rot 10:sc= 1.09 USER MOD Single : A 79 GLN : amide:sc= -2.93! C(o=-2.9!,f=-5.6!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.708 USER MOD Single : A 84 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-2.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -9:sc= 1.19 USER MOD Single : A 101 SER OG : rot 180:sc= -4.86! USER MOD Single : A 106 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.044) USER MOD Single : A 107 GLN : amide:sc= -0.252 K(o=-0.25,f=-2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 55:sc= 0.0725 USER MOD Single : A 114 LYS NZ :NH3+ -115:sc= -1.6 (180deg=-4.21!) USER MOD Single : A 116 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -13.760 10.489 18.623 1.00 0.00 N ATOM 2 CA GLY A 9 -12.906 9.298 18.351 1.00 0.00 C ATOM 3 C GLY A 9 -11.727 9.707 17.465 1.00 0.00 C ATOM 4 O GLY A 9 -11.811 9.683 16.254 1.00 0.00 O ATOM 0 HA2 GLY A 9 -12.542 8.877 19.288 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.492 8.522 17.859 1.00 0.00 H new ATOM 7 N ALA A 10 -10.628 10.083 18.061 1.00 0.00 N ATOM 8 CA ALA A 10 -9.445 10.493 17.253 1.00 0.00 C ATOM 9 C ALA A 10 -8.761 9.249 16.681 1.00 0.00 C ATOM 10 O ALA A 10 -8.862 8.174 17.237 1.00 0.00 O ATOM 11 CB ALA A 10 -8.460 11.255 18.141 1.00 0.00 C ATOM 0 H ALA A 10 -10.499 10.124 19.072 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.769 11.137 16.435 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.595 11.555 17.550 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.947 12.142 18.547 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.136 10.612 18.959 1.00 0.00 H new ATOM 17 N PRO A 11 -8.080 9.440 15.581 1.00 0.00 N ATOM 18 CA PRO A 11 -7.340 8.355 14.872 1.00 0.00 C ATOM 19 C PRO A 11 -5.969 8.133 15.516 1.00 0.00 C ATOM 20 O PRO A 11 -5.393 9.032 16.095 1.00 0.00 O ATOM 21 CB PRO A 11 -7.195 8.910 13.461 1.00 0.00 C ATOM 22 CG PRO A 11 -7.289 10.431 13.563 1.00 0.00 C ATOM 23 CD PRO A 11 -7.957 10.768 14.900 1.00 0.00 C ATOM 0 HA PRO A 11 -7.845 7.390 14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.241 8.612 13.026 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.978 8.519 12.811 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.297 10.880 13.507 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.869 10.835 12.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.354 11.463 15.484 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.931 11.235 14.754 1.00 0.00 H new ATOM 31 N VAL A 12 -5.442 6.942 15.422 1.00 0.00 N ATOM 32 CA VAL A 12 -4.121 6.660 16.023 1.00 0.00 C ATOM 33 C VAL A 12 -3.136 6.370 14.887 1.00 0.00 C ATOM 34 O VAL A 12 -3.458 5.624 13.989 1.00 0.00 O ATOM 35 CB VAL A 12 -4.257 5.417 16.910 1.00 0.00 C ATOM 36 CG1 VAL A 12 -2.871 4.892 17.256 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.030 5.733 18.202 1.00 0.00 C ATOM 0 H VAL A 12 -5.879 6.151 14.949 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.768 7.503 16.617 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.817 4.661 16.360 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.964 4.008 17.887 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.342 4.630 16.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.313 5.662 17.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.109 4.831 18.809 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.501 6.503 18.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.029 6.090 17.950 1.00 0.00 H new ATOM 47 N PRO A 13 -1.971 6.961 14.941 1.00 0.00 N ATOM 48 CA PRO A 13 -0.933 6.768 13.888 1.00 0.00 C ATOM 49 C PRO A 13 -0.196 5.446 14.090 1.00 0.00 C ATOM 50 O PRO A 13 -0.171 4.889 15.169 1.00 0.00 O ATOM 51 CB PRO A 13 -0.007 7.958 14.088 1.00 0.00 C ATOM 52 CG PRO A 13 -0.176 8.418 15.532 1.00 0.00 C ATOM 53 CD PRO A 13 -1.521 7.882 16.037 1.00 0.00 C ATOM 0 HA PRO A 13 -1.344 6.720 12.880 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.028 7.678 13.891 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.257 8.762 13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.641 8.045 16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.151 9.506 15.592 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.411 7.354 16.984 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.237 8.688 16.202 1.00 0.00 H new ATOM 61 N VAL A 14 0.391 4.941 13.047 1.00 0.00 N ATOM 62 CA VAL A 14 1.122 3.649 13.145 1.00 0.00 C ATOM 63 C VAL A 14 2.235 3.757 14.186 1.00 0.00 C ATOM 64 O VAL A 14 2.617 4.831 14.605 1.00 0.00 O ATOM 65 CB VAL A 14 1.729 3.308 11.774 1.00 0.00 C ATOM 66 CG1 VAL A 14 2.977 4.164 11.528 1.00 0.00 C ATOM 67 CG2 VAL A 14 2.110 1.830 11.733 1.00 0.00 C ATOM 0 H VAL A 14 0.397 5.370 12.122 1.00 0.00 H new ATOM 0 HA VAL A 14 0.430 2.863 13.447 1.00 0.00 H new ATOM 0 HB VAL A 14 0.992 3.515 10.998 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.402 3.917 10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.704 5.219 11.548 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.714 3.965 12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.540 1.592 10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.841 1.621 12.514 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.221 1.220 11.896 1.00 0.00 H new ATOM 77 N ASP A 15 2.755 2.637 14.598 1.00 0.00 N ATOM 78 CA ASP A 15 3.848 2.641 15.612 1.00 0.00 C ATOM 79 C ASP A 15 5.124 2.087 14.978 1.00 0.00 C ATOM 80 O ASP A 15 5.136 1.671 13.837 1.00 0.00 O ATOM 81 CB ASP A 15 3.456 1.769 16.811 1.00 0.00 C ATOM 82 CG ASP A 15 1.930 1.669 16.908 1.00 0.00 C ATOM 83 OD1 ASP A 15 1.353 0.939 16.118 1.00 0.00 O ATOM 84 OD2 ASP A 15 1.367 2.325 17.769 1.00 0.00 O ATOM 0 H ASP A 15 2.470 1.712 14.275 1.00 0.00 H new ATOM 0 HA ASP A 15 4.016 3.662 15.954 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.888 0.774 16.705 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.860 2.195 17.729 1.00 0.00 H new ATOM 89 N GLU A 16 6.199 2.087 15.712 1.00 0.00 N ATOM 90 CA GLU A 16 7.488 1.569 15.162 1.00 0.00 C ATOM 91 C GLU A 16 7.284 0.204 14.504 1.00 0.00 C ATOM 92 O GLU A 16 8.081 -0.234 13.697 1.00 0.00 O ATOM 93 CB GLU A 16 8.513 1.445 16.291 1.00 0.00 C ATOM 94 CG GLU A 16 9.682 2.398 16.025 1.00 0.00 C ATOM 95 CD GLU A 16 10.997 1.615 16.059 1.00 0.00 C ATOM 96 OE1 GLU A 16 10.946 0.403 15.934 1.00 0.00 O ATOM 97 OE2 GLU A 16 12.032 2.243 16.211 1.00 0.00 O ATOM 0 H GLU A 16 6.244 2.424 16.674 1.00 0.00 H new ATOM 0 HA GLU A 16 7.852 2.268 14.409 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.047 1.682 17.247 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.874 0.419 16.358 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.559 2.880 15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.698 3.189 16.775 1.00 0.00 H new ATOM 104 N ASN A 17 6.230 -0.470 14.840 1.00 0.00 N ATOM 105 CA ASN A 17 5.971 -1.809 14.236 1.00 0.00 C ATOM 106 C ASN A 17 4.527 -1.875 13.743 1.00 0.00 C ATOM 107 O ASN A 17 4.249 -1.718 12.571 1.00 0.00 O ATOM 108 CB ASN A 17 6.213 -2.903 15.282 1.00 0.00 C ATOM 109 CG ASN A 17 5.911 -2.358 16.680 1.00 0.00 C ATOM 110 OD1 ASN A 17 6.547 -1.427 17.133 1.00 0.00 O ATOM 111 ND2 ASN A 17 4.960 -2.905 17.389 1.00 0.00 N ATOM 0 H ASN A 17 5.529 -0.155 15.510 1.00 0.00 H new ATOM 0 HA ASN A 17 6.647 -1.964 13.395 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.580 -3.765 15.073 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.246 -3.246 15.231 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.752 -2.551 18.322 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.426 -3.687 17.009 1.00 0.00 H new ATOM 118 N ASP A 18 3.609 -2.107 14.631 1.00 0.00 N ATOM 119 CA ASP A 18 2.176 -2.185 14.230 1.00 0.00 C ATOM 120 C ASP A 18 2.020 -3.174 13.075 1.00 0.00 C ATOM 121 O ASP A 18 1.937 -2.794 11.921 1.00 0.00 O ATOM 122 CB ASP A 18 1.694 -0.803 13.787 1.00 0.00 C ATOM 123 CG ASP A 18 0.168 -0.744 13.878 1.00 0.00 C ATOM 124 OD1 ASP A 18 -0.394 -1.550 14.603 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.414 0.105 13.223 1.00 0.00 O ATOM 0 H ASP A 18 3.787 -2.247 15.625 1.00 0.00 H new ATOM 0 HA ASP A 18 1.581 -2.523 15.078 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.137 -0.032 14.417 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.016 -0.604 12.765 1.00 0.00 H new ATOM 130 N GLU A 19 1.971 -4.442 13.375 1.00 0.00 N ATOM 131 CA GLU A 19 1.813 -5.455 12.295 1.00 0.00 C ATOM 132 C GLU A 19 0.487 -5.213 11.576 1.00 0.00 C ATOM 133 O GLU A 19 0.298 -5.620 10.448 1.00 0.00 O ATOM 134 CB GLU A 19 1.820 -6.860 12.902 1.00 0.00 C ATOM 135 CG GLU A 19 0.514 -7.096 13.663 1.00 0.00 C ATOM 136 CD GLU A 19 0.812 -7.823 14.975 1.00 0.00 C ATOM 137 OE1 GLU A 19 0.942 -9.034 14.943 1.00 0.00 O ATOM 138 OE2 GLU A 19 0.904 -7.153 15.992 1.00 0.00 O ATOM 0 H GLU A 19 2.033 -4.820 14.320 1.00 0.00 H new ATOM 0 HA GLU A 19 2.637 -5.369 11.587 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.935 -7.606 12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.670 -6.972 13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.022 -6.145 13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.172 -7.686 13.055 1.00 0.00 H new ATOM 145 N GLY A 20 -0.430 -4.542 12.218 1.00 0.00 N ATOM 146 CA GLY A 20 -1.738 -4.263 11.565 1.00 0.00 C ATOM 147 C GLY A 20 -1.517 -3.273 10.422 1.00 0.00 C ATOM 148 O GLY A 20 -1.867 -3.527 9.288 1.00 0.00 O ATOM 0 H GLY A 20 -0.329 -4.176 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.175 -5.187 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.441 -3.852 12.289 1.00 0.00 H new ATOM 152 N LEU A 21 -0.926 -2.145 10.715 1.00 0.00 N ATOM 153 CA LEU A 21 -0.670 -1.142 9.644 1.00 0.00 C ATOM 154 C LEU A 21 0.153 -1.796 8.537 1.00 0.00 C ATOM 155 O LEU A 21 -0.079 -1.571 7.366 1.00 0.00 O ATOM 156 CB LEU A 21 0.098 0.046 10.227 1.00 0.00 C ATOM 157 CG LEU A 21 0.245 1.142 9.166 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.310 0.728 8.148 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.091 1.352 8.450 1.00 0.00 C ATOM 0 H LEU A 21 -0.611 -1.877 11.647 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.617 -0.788 9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.428 0.438 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.082 -0.277 10.568 1.00 0.00 H new ATOM 0 HG LEU A 21 0.544 2.072 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.415 1.508 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.263 0.585 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.012 -0.204 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.981 2.132 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.396 0.423 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.849 1.651 9.174 1.00 0.00 H new ATOM 171 N GLN A 22 1.115 -2.608 8.890 1.00 0.00 N ATOM 172 CA GLN A 22 1.937 -3.267 7.837 1.00 0.00 C ATOM 173 C GLN A 22 1.044 -4.176 6.999 1.00 0.00 C ATOM 174 O GLN A 22 1.194 -4.274 5.799 1.00 0.00 O ATOM 175 CB GLN A 22 3.051 -4.092 8.486 1.00 0.00 C ATOM 176 CG GLN A 22 4.038 -3.153 9.183 1.00 0.00 C ATOM 177 CD GLN A 22 5.419 -3.811 9.232 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.691 -4.616 10.100 1.00 0.00 O ATOM 179 NE2 GLN A 22 6.309 -3.500 8.330 1.00 0.00 N ATOM 0 H GLN A 22 1.364 -2.841 9.851 1.00 0.00 H new ATOM 0 HA GLN A 22 2.387 -2.507 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.628 -4.792 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.567 -4.685 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.094 -2.205 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.693 -2.930 10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.081 -2.824 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.232 -3.933 8.354 1.00 0.00 H new ATOM 188 N ARG A 23 0.101 -4.829 7.615 1.00 0.00 N ATOM 189 CA ARG A 23 -0.816 -5.712 6.846 1.00 0.00 C ATOM 190 C ARG A 23 -1.724 -4.832 5.989 1.00 0.00 C ATOM 191 O ARG A 23 -2.321 -5.278 5.028 1.00 0.00 O ATOM 192 CB ARG A 23 -1.663 -6.541 7.813 1.00 0.00 C ATOM 193 CG ARG A 23 -1.141 -7.978 7.846 1.00 0.00 C ATOM 194 CD ARG A 23 -2.311 -8.951 7.689 1.00 0.00 C ATOM 195 NE ARG A 23 -2.689 -9.044 6.252 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.921 -9.686 5.414 1.00 0.00 C ATOM 197 NH1 ARG A 23 -0.923 -9.069 4.841 1.00 0.00 N ATOM 198 NH2 ARG A 23 -2.149 -10.942 5.152 1.00 0.00 N ATOM 0 H ARG A 23 -0.075 -4.789 8.619 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.243 -6.389 6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.624 -6.106 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.707 -6.529 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.417 -8.131 7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.622 -8.166 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.033 -9.935 8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.162 -8.611 8.279 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.549 -8.606 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.744 -8.086 5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.322 -9.570 4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.928 -11.424 5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.549 -11.443 4.497 1.00 0.00 H new ATOM 212 N ALA A 24 -1.824 -3.576 6.332 1.00 0.00 N ATOM 213 CA ALA A 24 -2.679 -2.644 5.549 1.00 0.00 C ATOM 214 C ALA A 24 -1.951 -2.255 4.270 1.00 0.00 C ATOM 215 O ALA A 24 -2.456 -2.421 3.171 1.00 0.00 O ATOM 216 CB ALA A 24 -2.955 -1.388 6.374 1.00 0.00 C ATOM 0 H ALA A 24 -1.345 -3.154 7.128 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.623 -3.132 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.581 -0.706 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.468 -1.663 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.012 -0.898 6.617 1.00 0.00 H new ATOM 222 N LEU A 25 -0.761 -1.739 4.400 1.00 0.00 N ATOM 223 CA LEU A 25 0.001 -1.341 3.207 1.00 0.00 C ATOM 224 C LEU A 25 0.276 -2.569 2.353 1.00 0.00 C ATOM 225 O LEU A 25 0.310 -2.502 1.149 1.00 0.00 O ATOM 226 CB LEU A 25 1.306 -0.725 3.683 1.00 0.00 C ATOM 227 CG LEU A 25 2.203 -0.413 2.483 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.906 0.928 2.709 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.250 -1.517 2.326 1.00 0.00 C ATOM 0 H LEU A 25 -0.290 -1.579 5.290 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.556 -0.622 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.104 0.187 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.816 -1.410 4.361 1.00 0.00 H new ATOM 0 HG LEU A 25 1.595 -0.359 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.546 1.152 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.161 1.715 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.513 0.873 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.888 -1.294 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.858 -1.572 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.750 -2.472 2.166 1.00 0.00 H new ATOM 241 N GLN A 26 0.476 -3.687 2.966 1.00 0.00 N ATOM 242 CA GLN A 26 0.757 -4.919 2.175 1.00 0.00 C ATOM 243 C GLN A 26 -0.520 -5.423 1.485 1.00 0.00 C ATOM 244 O GLN A 26 -0.461 -6.122 0.494 1.00 0.00 O ATOM 245 CB GLN A 26 1.304 -6.009 3.099 1.00 0.00 C ATOM 246 CG GLN A 26 2.831 -6.039 3.005 1.00 0.00 C ATOM 247 CD GLN A 26 3.293 -7.442 2.607 1.00 0.00 C ATOM 248 OE1 GLN A 26 2.521 -8.380 2.640 1.00 0.00 O ATOM 249 NE2 GLN A 26 4.527 -7.626 2.227 1.00 0.00 N ATOM 0 H GLN A 26 0.459 -3.811 3.978 1.00 0.00 H new ATOM 0 HA GLN A 26 1.496 -4.680 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.996 -5.817 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.893 -6.979 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.175 -5.310 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.270 -5.759 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.175 -6.839 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.844 -8.557 1.957 1.00 0.00 H new ATOM 258 N PHE A 27 -1.669 -5.078 1.996 1.00 0.00 N ATOM 259 CA PHE A 27 -2.942 -5.538 1.369 1.00 0.00 C ATOM 260 C PHE A 27 -3.206 -4.739 0.097 1.00 0.00 C ATOM 261 O PHE A 27 -3.348 -5.279 -0.987 1.00 0.00 O ATOM 262 CB PHE A 27 -4.066 -5.289 2.359 1.00 0.00 C ATOM 263 CG PHE A 27 -5.342 -5.981 1.939 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.444 -6.607 0.691 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.440 -5.973 2.808 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.645 -7.221 0.314 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.636 -6.590 2.433 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.740 -7.211 1.187 1.00 0.00 C ATOM 0 H PHE A 27 -1.783 -4.494 2.825 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.878 -6.596 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.767 -5.643 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.244 -4.217 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.598 -6.616 0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.362 -5.489 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.727 -7.702 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.480 -6.587 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.666 -7.684 0.896 1.00 0.00 H new ATOM 278 N ALA A 28 -3.262 -3.455 0.229 1.00 0.00 N ATOM 279 CA ALA A 28 -3.515 -2.589 -0.956 1.00 0.00 C ATOM 280 C ALA A 28 -2.298 -2.612 -1.873 1.00 0.00 C ATOM 281 O ALA A 28 -2.414 -2.746 -3.076 1.00 0.00 O ATOM 282 CB ALA A 28 -3.771 -1.164 -0.482 1.00 0.00 C ATOM 0 H ALA A 28 -3.143 -2.957 1.111 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.383 -2.956 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.957 -0.522 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.640 -1.150 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.899 -0.799 0.061 1.00 0.00 H new ATOM 288 N ILE A 29 -1.133 -2.485 -1.316 1.00 0.00 N ATOM 289 CA ILE A 29 0.093 -2.506 -2.153 1.00 0.00 C ATOM 290 C ILE A 29 0.169 -3.852 -2.864 1.00 0.00 C ATOM 291 O ILE A 29 0.525 -3.945 -4.022 1.00 0.00 O ATOM 292 CB ILE A 29 1.328 -2.317 -1.255 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.474 -1.766 -2.082 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.750 -3.642 -0.639 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.933 -0.602 -2.881 1.00 0.00 C ATOM 0 H ILE A 29 -0.975 -2.367 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 29 0.064 -1.701 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 29 1.074 -1.621 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.292 -1.443 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.874 -2.534 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.625 -3.487 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.933 -4.040 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.995 -4.350 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.730 -0.177 -3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.127 -0.948 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.551 0.160 -2.201 1.00 0.00 H new ATOM 307 N ALA A 30 -0.179 -4.894 -2.173 1.00 0.00 N ATOM 308 CA ALA A 30 -0.157 -6.235 -2.800 1.00 0.00 C ATOM 309 C ALA A 30 -1.075 -6.175 -4.011 1.00 0.00 C ATOM 310 O ALA A 30 -0.868 -6.839 -5.009 1.00 0.00 O ATOM 311 CB ALA A 30 -0.674 -7.279 -1.809 1.00 0.00 C ATOM 0 H ALA A 30 -0.479 -4.874 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 30 0.856 -6.513 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.656 -8.264 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.039 -7.285 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.696 -7.033 -1.521 1.00 0.00 H new ATOM 317 N GLU A 31 -2.088 -5.355 -3.929 1.00 0.00 N ATOM 318 CA GLU A 31 -3.028 -5.216 -5.068 1.00 0.00 C ATOM 319 C GLU A 31 -2.389 -4.355 -6.155 1.00 0.00 C ATOM 320 O GLU A 31 -2.693 -4.501 -7.324 1.00 0.00 O ATOM 321 CB GLU A 31 -4.329 -4.568 -4.592 1.00 0.00 C ATOM 322 CG GLU A 31 -4.856 -5.318 -3.368 1.00 0.00 C ATOM 323 CD GLU A 31 -5.972 -6.272 -3.795 1.00 0.00 C ATOM 324 OE1 GLU A 31 -5.738 -7.063 -4.694 1.00 0.00 O ATOM 325 OE2 GLU A 31 -7.044 -6.196 -3.216 1.00 0.00 O ATOM 0 H GLU A 31 -2.302 -4.775 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.251 -6.203 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.156 -3.521 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.071 -4.588 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.048 -5.876 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.231 -4.610 -2.629 1.00 0.00 H new ATOM 332 N TYR A 32 -1.500 -3.468 -5.799 1.00 0.00 N ATOM 333 CA TYR A 32 -0.857 -2.636 -6.837 1.00 0.00 C ATOM 334 C TYR A 32 0.038 -3.542 -7.685 1.00 0.00 C ATOM 335 O TYR A 32 -0.008 -3.526 -8.902 1.00 0.00 O ATOM 336 CB TYR A 32 -0.030 -1.545 -6.172 1.00 0.00 C ATOM 337 CG TYR A 32 -0.065 -0.304 -7.022 1.00 0.00 C ATOM 338 CD1 TYR A 32 -1.292 0.223 -7.438 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.121 0.336 -7.379 1.00 0.00 C ATOM 340 CE1 TYR A 32 -1.330 1.378 -8.205 1.00 0.00 C ATOM 341 CE2 TYR A 32 1.087 1.493 -8.148 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.140 2.022 -8.564 1.00 0.00 C ATOM 343 OH TYR A 32 -0.176 3.171 -9.327 1.00 0.00 O ATOM 0 H TYR A 32 -1.198 -3.289 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.607 -2.162 -7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.423 -1.330 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.999 -1.881 -6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.212 -0.271 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.069 -0.069 -7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.279 1.781 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.008 1.984 -8.425 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.893 3.755 -9.005 1.00 0.00 H new ATOM 353 N ASN A 33 0.837 -4.353 -7.042 1.00 0.00 N ATOM 354 CA ASN A 33 1.723 -5.283 -7.793 1.00 0.00 C ATOM 355 C ASN A 33 0.864 -6.231 -8.635 1.00 0.00 C ATOM 356 O ASN A 33 1.078 -6.382 -9.822 1.00 0.00 O ATOM 357 CB ASN A 33 2.565 -6.097 -6.807 1.00 0.00 C ATOM 358 CG ASN A 33 3.497 -7.029 -7.583 1.00 0.00 C ATOM 359 OD1 ASN A 33 4.263 -6.537 -8.517 1.00 0.00 O flip ATOM 360 ND2 ASN A 33 3.528 -8.219 -7.336 1.00 0.00 N flip ATOM 0 H ASN A 33 0.912 -4.409 -6.026 1.00 0.00 H new ATOM 0 HA ASN A 33 2.383 -4.711 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.147 -5.430 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.916 -6.677 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.929 -8.604 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.153 -8.832 -7.859 1.00 0.00 H new ATOM 367 N ARG A 34 -0.111 -6.871 -8.040 1.00 0.00 N ATOM 368 CA ARG A 34 -0.972 -7.795 -8.826 1.00 0.00 C ATOM 369 C ARG A 34 -1.793 -6.980 -9.824 1.00 0.00 C ATOM 370 O ARG A 34 -2.352 -7.507 -10.766 1.00 0.00 O ATOM 371 CB ARG A 34 -1.908 -8.556 -7.884 1.00 0.00 C ATOM 372 CG ARG A 34 -2.996 -9.260 -8.700 1.00 0.00 C ATOM 373 CD ARG A 34 -3.488 -10.493 -7.942 1.00 0.00 C ATOM 374 NE ARG A 34 -3.186 -11.718 -8.732 1.00 0.00 N ATOM 375 CZ ARG A 34 -3.420 -12.898 -8.226 1.00 0.00 C ATOM 376 NH1 ARG A 34 -4.150 -13.013 -7.150 1.00 0.00 N ATOM 377 NH2 ARG A 34 -2.925 -13.963 -8.795 1.00 0.00 N ATOM 0 H ARG A 34 -0.344 -6.792 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.350 -8.512 -9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.343 -9.287 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.362 -7.867 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.826 -8.578 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.603 -9.552 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.005 -10.549 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.561 -10.419 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.795 -11.635 -9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.537 -12.181 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.333 -13.935 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.355 -13.874 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.108 -14.885 -8.399 1.00 0.00 H new ATOM 391 N ALA A 35 -1.865 -5.694 -9.623 1.00 0.00 N ATOM 392 CA ALA A 35 -2.645 -4.833 -10.556 1.00 0.00 C ATOM 393 C ALA A 35 -1.835 -4.595 -11.832 1.00 0.00 C ATOM 394 O ALA A 35 -2.373 -4.246 -12.864 1.00 0.00 O ATOM 395 CB ALA A 35 -2.949 -3.492 -9.884 1.00 0.00 C ATOM 0 H ALA A 35 -1.416 -5.201 -8.851 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.581 -5.330 -10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.520 -2.863 -10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.530 -3.663 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.014 -2.993 -9.627 1.00 0.00 H new ATOM 401 N SER A 36 -0.547 -4.786 -11.771 1.00 0.00 N ATOM 402 CA SER A 36 0.297 -4.577 -12.982 1.00 0.00 C ATOM 403 C SER A 36 0.393 -5.892 -13.764 1.00 0.00 C ATOM 404 O SER A 36 0.499 -5.899 -14.973 1.00 0.00 O ATOM 405 CB SER A 36 1.697 -4.128 -12.559 1.00 0.00 C ATOM 406 OG SER A 36 2.599 -4.311 -13.641 1.00 0.00 O ATOM 0 H SER A 36 -0.041 -5.078 -10.935 1.00 0.00 H new ATOM 0 HA SER A 36 -0.151 -3.809 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.680 -3.080 -12.259 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.029 -4.702 -11.694 1.00 0.00 H new ATOM 0 HG SER A 36 2.885 -5.248 -13.673 1.00 0.00 H new ATOM 412 N ASN A 37 0.353 -7.002 -13.077 1.00 0.00 N ATOM 413 CA ASN A 37 0.436 -8.322 -13.769 1.00 0.00 C ATOM 414 C ASN A 37 1.893 -8.622 -14.143 1.00 0.00 C ATOM 415 O ASN A 37 2.811 -8.010 -13.636 1.00 0.00 O ATOM 416 CB ASN A 37 -0.422 -8.292 -15.035 1.00 0.00 C ATOM 417 CG ASN A 37 -1.702 -7.500 -14.767 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.167 -7.431 -13.549 1.00 0.00 O flip ATOM 419 ND2 ASN A 37 -2.285 -6.938 -15.672 1.00 0.00 N flip ATOM 0 H ASN A 37 0.266 -7.052 -12.062 1.00 0.00 H new ATOM 0 HA ASN A 37 0.069 -9.101 -13.100 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.135 -7.836 -15.854 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.669 -9.308 -15.344 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.922 -6.992 -16.624 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.138 -6.412 -15.480 1.00 0.00 H new ATOM 426 N ASP A 38 2.112 -9.567 -15.023 1.00 0.00 N ATOM 427 CA ASP A 38 3.493 -9.917 -15.425 1.00 0.00 C ATOM 428 C ASP A 38 4.067 -8.820 -16.321 1.00 0.00 C ATOM 429 O ASP A 38 5.260 -8.738 -16.538 1.00 0.00 O ATOM 430 CB ASP A 38 3.416 -11.226 -16.194 1.00 0.00 C ATOM 431 CG ASP A 38 4.804 -11.621 -16.701 1.00 0.00 C ATOM 432 OD1 ASP A 38 5.766 -10.994 -16.289 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.882 -12.546 -17.495 1.00 0.00 O ATOM 0 H ASP A 38 1.380 -10.112 -15.480 1.00 0.00 H new ATOM 0 HA ASP A 38 4.139 -10.016 -14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.018 -12.011 -15.551 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.729 -11.123 -17.034 1.00 0.00 H new ATOM 438 N LYS A 39 3.227 -7.978 -16.844 1.00 0.00 N ATOM 439 CA LYS A 39 3.719 -6.885 -17.729 1.00 0.00 C ATOM 440 C LYS A 39 4.778 -6.067 -16.996 1.00 0.00 C ATOM 441 O LYS A 39 5.764 -5.656 -17.576 1.00 0.00 O ATOM 442 CB LYS A 39 2.550 -5.975 -18.114 1.00 0.00 C ATOM 443 CG LYS A 39 1.431 -6.816 -18.729 1.00 0.00 C ATOM 444 CD LYS A 39 0.531 -5.922 -19.584 1.00 0.00 C ATOM 445 CE LYS A 39 -0.645 -5.427 -18.742 1.00 0.00 C ATOM 446 NZ LYS A 39 -1.920 -5.686 -19.469 1.00 0.00 N ATOM 0 H LYS A 39 2.218 -7.997 -16.698 1.00 0.00 H new ATOM 0 HA LYS A 39 4.156 -7.319 -18.628 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.181 -5.447 -17.235 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.883 -5.218 -18.824 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.855 -7.613 -19.339 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.846 -7.293 -17.943 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.100 -5.075 -19.966 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.165 -6.477 -20.448 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.654 -5.934 -17.777 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.539 -4.361 -18.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.720 -5.349 -18.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.909 -5.183 -20.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.021 -6.707 -19.639 1.00 0.00 H new ATOM 460 N TYR A 40 4.585 -5.814 -15.733 1.00 0.00 N ATOM 461 CA TYR A 40 5.580 -5.012 -14.987 1.00 0.00 C ATOM 462 C TYR A 40 5.264 -5.044 -13.499 1.00 0.00 C ATOM 463 O TYR A 40 4.392 -5.762 -13.055 1.00 0.00 O ATOM 464 CB TYR A 40 5.514 -3.584 -15.484 1.00 0.00 C ATOM 465 CG TYR A 40 6.638 -3.361 -16.451 1.00 0.00 C ATOM 466 CD1 TYR A 40 7.914 -3.841 -16.151 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.403 -2.694 -17.651 1.00 0.00 C ATOM 468 CE1 TYR A 40 8.956 -3.658 -17.052 1.00 0.00 C ATOM 469 CE2 TYR A 40 7.446 -2.503 -18.556 1.00 0.00 C ATOM 470 CZ TYR A 40 8.729 -2.986 -18.260 1.00 0.00 C ATOM 471 OH TYR A 40 9.761 -2.802 -19.155 1.00 0.00 O ATOM 0 H TYR A 40 3.781 -6.129 -15.189 1.00 0.00 H new ATOM 0 HA TYR A 40 6.577 -5.423 -15.144 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.556 -3.396 -15.968 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.591 -2.889 -14.648 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.092 -4.355 -15.218 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.414 -2.325 -17.880 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.942 -4.034 -16.821 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.266 -1.983 -19.485 1.00 0.00 H new ATOM 0 HH TYR A 40 10.531 -2.412 -18.691 1.00 0.00 H new ATOM 481 N SER A 41 5.980 -4.284 -12.715 1.00 0.00 N ATOM 482 CA SER A 41 5.704 -4.312 -11.243 1.00 0.00 C ATOM 483 C SER A 41 5.463 -2.904 -10.677 1.00 0.00 C ATOM 484 O SER A 41 5.858 -1.908 -11.248 1.00 0.00 O ATOM 485 CB SER A 41 6.891 -4.951 -10.522 1.00 0.00 C ATOM 486 OG SER A 41 6.556 -6.278 -10.143 1.00 0.00 O ATOM 0 H SER A 41 6.727 -3.658 -13.016 1.00 0.00 H new ATOM 0 HA SER A 41 4.797 -4.895 -11.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.765 -4.957 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.154 -4.365 -9.641 1.00 0.00 H new ATOM 0 HG SER A 41 5.752 -6.265 -9.583 1.00 0.00 H new ATOM 492 N SER A 42 4.822 -2.840 -9.534 1.00 0.00 N ATOM 493 CA SER A 42 4.544 -1.531 -8.863 1.00 0.00 C ATOM 494 C SER A 42 4.689 -1.738 -7.352 1.00 0.00 C ATOM 495 O SER A 42 4.024 -2.578 -6.778 1.00 0.00 O ATOM 496 CB SER A 42 3.114 -1.070 -9.167 1.00 0.00 C ATOM 497 OG SER A 42 2.668 -1.671 -10.375 1.00 0.00 O ATOM 0 H SER A 42 4.474 -3.655 -9.029 1.00 0.00 H new ATOM 0 HA SER A 42 5.240 -0.775 -9.226 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.451 -1.343 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.082 0.016 -9.255 1.00 0.00 H new ATOM 0 HG SER A 42 1.753 -1.377 -10.568 1.00 0.00 H new ATOM 503 N ARG A 43 5.556 -1.012 -6.691 1.00 0.00 N ATOM 504 CA ARG A 43 5.707 -1.239 -5.224 1.00 0.00 C ATOM 505 C ARG A 43 5.762 0.093 -4.472 1.00 0.00 C ATOM 506 O ARG A 43 5.880 1.150 -5.060 1.00 0.00 O ATOM 507 CB ARG A 43 7.000 -2.014 -4.967 1.00 0.00 C ATOM 508 CG ARG A 43 6.876 -3.422 -5.555 1.00 0.00 C ATOM 509 CD ARG A 43 5.852 -4.223 -4.749 1.00 0.00 C ATOM 510 NE ARG A 43 6.344 -4.394 -3.352 1.00 0.00 N ATOM 511 CZ ARG A 43 7.128 -5.393 -3.054 1.00 0.00 C ATOM 512 NH1 ARG A 43 8.415 -5.294 -3.249 1.00 0.00 N ATOM 513 NH2 ARG A 43 6.627 -6.492 -2.561 1.00 0.00 N ATOM 0 H ARG A 43 6.152 -0.289 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 43 4.848 -1.807 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.845 -1.493 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.196 -2.071 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.569 -3.366 -6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.844 -3.923 -5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.891 -3.708 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.691 -5.197 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 43 6.067 -3.730 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.808 -4.435 -3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.028 -6.075 -3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.622 -6.571 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.241 -7.273 -2.328 1.00 0.00 H new ATOM 527 N VAL A 44 5.692 0.038 -3.165 1.00 0.00 N ATOM 528 CA VAL A 44 5.759 1.282 -2.350 1.00 0.00 C ATOM 529 C VAL A 44 6.978 2.074 -2.768 1.00 0.00 C ATOM 530 O VAL A 44 7.661 1.720 -3.705 1.00 0.00 O ATOM 531 CB VAL A 44 5.816 0.918 -0.869 1.00 0.00 C ATOM 532 CG1 VAL A 44 7.261 0.653 -0.444 1.00 0.00 C ATOM 533 CG2 VAL A 44 5.232 2.075 -0.059 1.00 0.00 C ATOM 0 H VAL A 44 5.591 -0.823 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 44 4.872 1.894 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 44 5.237 0.012 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.287 0.394 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.667 -0.172 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.860 1.548 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.266 1.830 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.815 2.978 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.198 2.244 -0.360 1.00 0.00 H new ATOM 543 N VAL A 45 7.233 3.166 -2.118 1.00 0.00 N ATOM 544 CA VAL A 45 8.379 3.992 -2.542 1.00 0.00 C ATOM 545 C VAL A 45 8.531 5.164 -1.581 1.00 0.00 C ATOM 546 O VAL A 45 9.501 5.279 -0.859 1.00 0.00 O ATOM 547 CB VAL A 45 8.043 4.451 -3.967 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.391 5.903 -4.235 1.00 0.00 C ATOM 549 CG2 VAL A 45 8.829 3.613 -4.927 1.00 0.00 C ATOM 0 H VAL A 45 6.703 3.518 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 45 9.327 3.454 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 45 6.965 4.342 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.126 6.157 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.837 6.543 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.461 6.054 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.605 3.923 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.894 3.741 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.561 2.564 -4.799 1.00 0.00 H new ATOM 559 N ARG A 46 7.570 6.022 -1.570 1.00 0.00 N ATOM 560 CA ARG A 46 7.626 7.198 -0.656 1.00 0.00 C ATOM 561 C ARG A 46 6.393 7.221 0.256 1.00 0.00 C ATOM 562 O ARG A 46 5.452 7.953 0.021 1.00 0.00 O ATOM 563 CB ARG A 46 7.672 8.484 -1.482 1.00 0.00 C ATOM 564 CG ARG A 46 8.504 9.535 -0.744 1.00 0.00 C ATOM 565 CD ARG A 46 9.860 9.691 -1.434 1.00 0.00 C ATOM 566 NE ARG A 46 10.915 9.922 -0.408 1.00 0.00 N ATOM 567 CZ ARG A 46 12.171 9.964 -0.762 1.00 0.00 C ATOM 568 NH1 ARG A 46 12.491 10.214 -2.001 1.00 0.00 N ATOM 569 NH2 ARG A 46 13.105 9.758 0.124 1.00 0.00 N ATOM 0 H ARG A 46 6.737 5.968 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 46 8.522 7.124 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.105 8.284 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.662 8.857 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.977 10.489 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.645 9.238 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.090 8.797 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.830 10.526 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 46 10.656 10.047 0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.760 10.377 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.472 10.247 -2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.854 9.564 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.086 9.791 -0.152 1.00 0.00 H new ATOM 583 N VAL A 47 6.398 6.445 1.308 1.00 0.00 N ATOM 584 CA VAL A 47 5.239 6.443 2.242 1.00 0.00 C ATOM 585 C VAL A 47 4.839 7.886 2.520 1.00 0.00 C ATOM 586 O VAL A 47 5.590 8.806 2.265 1.00 0.00 O ATOM 587 CB VAL A 47 5.644 5.723 3.521 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.876 6.279 4.718 1.00 0.00 C ATOM 589 CG2 VAL A 47 5.344 4.230 3.379 1.00 0.00 C ATOM 0 H VAL A 47 7.157 5.812 1.559 1.00 0.00 H new ATOM 0 HA VAL A 47 4.384 5.923 1.810 1.00 0.00 H new ATOM 0 HB VAL A 47 6.710 5.877 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.180 5.751 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.093 7.342 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.806 6.142 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.633 3.712 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.278 4.088 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.907 3.824 2.539 1.00 0.00 H new ATOM 599 N ILE A 48 3.653 8.103 3.009 1.00 0.00 N ATOM 600 CA ILE A 48 3.218 9.492 3.256 1.00 0.00 C ATOM 601 C ILE A 48 2.390 9.528 4.527 1.00 0.00 C ATOM 602 O ILE A 48 2.617 10.322 5.417 1.00 0.00 O ATOM 603 CB ILE A 48 2.352 9.896 2.077 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.238 10.295 0.900 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.442 11.071 2.451 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.418 10.217 -0.387 1.00 0.00 C ATOM 0 H ILE A 48 2.973 7.380 3.246 1.00 0.00 H new ATOM 0 HA ILE A 48 4.068 10.165 3.366 1.00 0.00 H new ATOM 0 HB ILE A 48 1.730 9.045 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.621 11.306 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.102 9.633 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.830 11.345 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.796 10.781 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.052 11.924 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.043 10.500 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.057 9.198 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.569 10.897 -0.319 1.00 0.00 H new ATOM 618 N SER A 49 1.416 8.676 4.603 1.00 0.00 N ATOM 619 CA SER A 49 0.550 8.667 5.812 1.00 0.00 C ATOM 620 C SER A 49 -0.044 7.279 6.046 1.00 0.00 C ATOM 621 O SER A 49 -0.818 6.778 5.255 1.00 0.00 O ATOM 622 CB SER A 49 -0.585 9.678 5.630 1.00 0.00 C ATOM 623 OG SER A 49 -1.221 9.907 6.880 1.00 0.00 O ATOM 0 H SER A 49 1.180 7.988 3.888 1.00 0.00 H new ATOM 0 HA SER A 49 1.158 8.936 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.192 10.614 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.308 9.303 4.906 1.00 0.00 H new ATOM 0 HG SER A 49 -1.947 10.556 6.764 1.00 0.00 H new ATOM 629 N ALA A 50 0.297 6.669 7.146 1.00 0.00 N ATOM 630 CA ALA A 50 -0.257 5.328 7.466 1.00 0.00 C ATOM 631 C ALA A 50 -0.943 5.415 8.832 1.00 0.00 C ATOM 632 O ALA A 50 -0.297 5.386 9.861 1.00 0.00 O ATOM 633 CB ALA A 50 0.872 4.302 7.523 1.00 0.00 C ATOM 0 H ALA A 50 0.941 7.046 7.841 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.969 5.020 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.460 3.321 7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.377 4.262 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.587 4.590 8.294 1.00 0.00 H new ATOM 639 N LYS A 51 -2.241 5.553 8.858 1.00 0.00 N ATOM 640 CA LYS A 51 -2.948 5.675 10.170 1.00 0.00 C ATOM 641 C LYS A 51 -4.054 4.633 10.286 1.00 0.00 C ATOM 642 O LYS A 51 -4.447 4.006 9.321 1.00 0.00 O ATOM 643 CB LYS A 51 -3.556 7.075 10.286 1.00 0.00 C ATOM 644 CG LYS A 51 -2.482 8.122 9.985 1.00 0.00 C ATOM 645 CD LYS A 51 -2.844 9.438 10.672 1.00 0.00 C ATOM 646 CE LYS A 51 -3.449 10.399 9.647 1.00 0.00 C ATOM 647 NZ LYS A 51 -4.782 10.862 10.127 1.00 0.00 N ATOM 0 H LYS A 51 -2.841 5.587 8.034 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.229 5.510 10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.388 7.181 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.957 7.227 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.511 7.772 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.398 8.273 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.554 9.256 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.956 9.882 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.788 11.252 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.550 9.902 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.194 11.515 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.411 10.043 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.672 11.351 11.038 1.00 0.00 H new ATOM 661 N ARG A 52 -4.553 4.447 11.476 1.00 0.00 N ATOM 662 CA ARG A 52 -5.632 3.444 11.688 1.00 0.00 C ATOM 663 C ARG A 52 -6.786 4.065 12.494 1.00 0.00 C ATOM 664 O ARG A 52 -6.851 3.932 13.700 1.00 0.00 O ATOM 665 CB ARG A 52 -5.063 2.248 12.433 1.00 0.00 C ATOM 666 CG ARG A 52 -4.326 1.342 11.446 1.00 0.00 C ATOM 667 CD ARG A 52 -2.957 0.970 12.016 1.00 0.00 C ATOM 668 NE ARG A 52 -3.051 0.848 13.498 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.735 -0.126 14.031 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.794 -1.285 13.433 1.00 0.00 N ATOM 671 NH2 ARG A 52 -4.361 0.056 15.162 1.00 0.00 N ATOM 0 H ARG A 52 -4.258 4.949 12.314 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.019 3.122 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.382 2.583 13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.865 1.695 12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.910 0.441 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.207 1.850 10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.615 0.029 11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.222 1.729 11.749 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.580 1.527 14.096 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.305 -1.428 12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.329 -2.047 13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.316 0.961 15.630 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.896 -0.707 15.578 1.00 0.00 H new ATOM 685 N GLN A 53 -7.695 4.745 11.838 1.00 0.00 N ATOM 686 CA GLN A 53 -8.841 5.374 12.565 1.00 0.00 C ATOM 687 C GLN A 53 -9.426 4.375 13.566 1.00 0.00 C ATOM 688 O GLN A 53 -9.306 3.177 13.398 1.00 0.00 O ATOM 689 CB GLN A 53 -9.918 5.787 11.562 1.00 0.00 C ATOM 690 CG GLN A 53 -9.842 7.298 11.330 1.00 0.00 C ATOM 691 CD GLN A 53 -10.349 7.628 9.926 1.00 0.00 C ATOM 692 OE1 GLN A 53 -9.577 7.404 8.898 1.00 0.00 O flip ATOM 693 NE2 GLN A 53 -11.458 8.092 9.760 1.00 0.00 N flip ATOM 0 H GLN A 53 -7.692 4.891 10.829 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.489 6.256 13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.777 5.256 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.904 5.514 11.938 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.440 7.821 12.076 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.815 7.643 11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.063 8.268 10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.785 8.306 8.818 1.00 0.00 H new ATOM 702 N LEU A 54 -10.047 4.859 14.615 1.00 0.00 N ATOM 703 CA LEU A 54 -10.618 3.931 15.635 1.00 0.00 C ATOM 704 C LEU A 54 -12.110 4.202 15.865 1.00 0.00 C ATOM 705 O LEU A 54 -12.495 4.819 16.838 1.00 0.00 O ATOM 706 CB LEU A 54 -9.867 4.119 16.955 1.00 0.00 C ATOM 707 CG LEU A 54 -9.184 2.808 17.345 1.00 0.00 C ATOM 708 CD1 LEU A 54 -7.669 3.015 17.388 1.00 0.00 C ATOM 709 CD2 LEU A 54 -9.677 2.368 18.725 1.00 0.00 C ATOM 0 H LEU A 54 -10.181 5.852 14.806 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.508 2.910 15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.126 4.912 16.854 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.559 4.428 17.738 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.425 2.040 16.610 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.182 2.080 17.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.317 3.330 16.406 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.427 3.783 18.123 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.191 1.433 19.004 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.435 3.136 19.460 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.757 2.221 18.696 1.00 0.00 H new ATOM 721 N VAL A 55 -12.955 3.707 15.002 1.00 0.00 N ATOM 722 CA VAL A 55 -14.424 3.890 15.194 1.00 0.00 C ATOM 723 C VAL A 55 -15.011 2.503 15.491 1.00 0.00 C ATOM 724 O VAL A 55 -14.353 1.693 16.113 1.00 0.00 O ATOM 725 CB VAL A 55 -15.035 4.498 13.923 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.203 3.420 12.851 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.398 5.116 14.252 1.00 0.00 C ATOM 0 H VAL A 55 -12.691 3.181 14.169 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.644 4.570 16.017 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.367 5.272 13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.637 3.863 11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.230 2.992 12.610 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.862 2.636 13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.830 5.547 13.349 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.063 4.345 14.640 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.272 5.897 15.002 1.00 0.00 H new ATOM 737 N SER A 56 -16.218 2.205 15.065 1.00 0.00 N ATOM 738 CA SER A 56 -16.782 0.841 15.346 1.00 0.00 C ATOM 739 C SER A 56 -15.672 -0.202 15.188 1.00 0.00 C ATOM 740 O SER A 56 -15.635 -1.206 15.870 1.00 0.00 O ATOM 741 CB SER A 56 -17.913 0.529 14.358 1.00 0.00 C ATOM 742 OG SER A 56 -17.356 0.125 13.116 1.00 0.00 O ATOM 0 H SER A 56 -16.829 2.834 14.544 1.00 0.00 H new ATOM 0 HA SER A 56 -17.177 0.816 16.362 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.552 -0.259 14.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.542 1.408 14.218 1.00 0.00 H new ATOM 0 HG SER A 56 -18.077 -0.076 12.484 1.00 0.00 H new ATOM 748 N GLY A 57 -14.753 0.064 14.309 1.00 0.00 N ATOM 749 CA GLY A 57 -13.601 -0.847 14.086 1.00 0.00 C ATOM 750 C GLY A 57 -12.406 0.046 13.744 1.00 0.00 C ATOM 751 O GLY A 57 -12.279 1.126 14.282 1.00 0.00 O ATOM 0 H GLY A 57 -14.752 0.897 13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.399 -1.443 14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.809 -1.545 13.275 1.00 0.00 H new ATOM 755 N ILE A 58 -11.532 -0.348 12.853 1.00 0.00 N ATOM 756 CA ILE A 58 -10.402 0.563 12.533 1.00 0.00 C ATOM 757 C ILE A 58 -10.348 0.825 11.041 1.00 0.00 C ATOM 758 O ILE A 58 -10.528 -0.064 10.237 1.00 0.00 O ATOM 759 CB ILE A 58 -9.084 -0.069 12.938 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.066 -0.286 14.437 1.00 0.00 C ATOM 761 CG2 ILE A 58 -7.929 0.839 12.528 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.660 -1.656 14.710 1.00 0.00 C ATOM 0 H ILE A 58 -11.552 -1.234 12.349 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.559 1.494 13.078 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.974 -1.030 12.436 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.047 -0.227 14.820 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.642 0.489 14.943 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.984 0.381 12.821 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.944 0.981 11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.032 1.805 13.022 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.662 -1.844 15.784 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.682 -1.691 14.334 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.063 -2.418 14.209 1.00 0.00 H new ATOM 774 N LYS A 59 -10.037 2.022 10.664 1.00 0.00 N ATOM 775 CA LYS A 59 -9.893 2.318 9.220 1.00 0.00 C ATOM 776 C LYS A 59 -8.407 2.495 8.997 1.00 0.00 C ATOM 777 O LYS A 59 -7.730 3.109 9.783 1.00 0.00 O ATOM 778 CB LYS A 59 -10.643 3.599 8.841 1.00 0.00 C ATOM 779 CG LYS A 59 -11.738 3.887 9.872 1.00 0.00 C ATOM 780 CD LYS A 59 -12.489 5.160 9.476 1.00 0.00 C ATOM 781 CE LYS A 59 -13.414 4.863 8.295 1.00 0.00 C ATOM 782 NZ LYS A 59 -12.693 5.130 7.018 1.00 0.00 N ATOM 0 H LYS A 59 -9.876 2.810 11.291 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.311 1.521 8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.948 4.437 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.084 3.493 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.430 3.046 9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.298 4.005 10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.069 5.530 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.781 5.944 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.742 3.824 8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.309 5.482 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.250 5.787 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.765 5.552 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.560 4.237 6.501 1.00 0.00 H new ATOM 796 N TYR A 60 -7.884 1.932 7.967 1.00 0.00 N ATOM 797 CA TYR A 60 -6.417 2.041 7.747 1.00 0.00 C ATOM 798 C TYR A 60 -6.129 2.974 6.586 1.00 0.00 C ATOM 799 O TYR A 60 -6.145 2.569 5.444 1.00 0.00 O ATOM 800 CB TYR A 60 -5.857 0.666 7.430 1.00 0.00 C ATOM 801 CG TYR A 60 -5.744 -0.171 8.694 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.868 -0.392 9.508 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.518 -0.756 9.040 1.00 0.00 C ATOM 804 CE1 TYR A 60 -6.761 -1.192 10.648 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.413 -1.551 10.184 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.535 -1.772 10.988 1.00 0.00 C ATOM 807 OH TYR A 60 -5.432 -2.562 12.115 1.00 0.00 O ATOM 0 H TYR A 60 -8.397 1.400 7.263 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.950 2.438 8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.502 0.162 6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.876 0.765 6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.816 0.057 9.252 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.650 -0.591 8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.628 -1.363 11.269 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.464 -1.995 10.447 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.739 -3.241 11.977 1.00 0.00 H new ATOM 817 N ILE A 61 -5.839 4.210 6.850 1.00 0.00 N ATOM 818 CA ILE A 61 -5.540 5.118 5.732 1.00 0.00 C ATOM 819 C ILE A 61 -4.079 4.937 5.363 1.00 0.00 C ATOM 820 O ILE A 61 -3.215 4.837 6.206 1.00 0.00 O ATOM 821 CB ILE A 61 -5.768 6.559 6.141 1.00 0.00 C ATOM 822 CG1 ILE A 61 -6.766 6.637 7.302 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.306 7.354 4.949 1.00 0.00 C ATOM 824 CD1 ILE A 61 -7.987 5.768 6.988 1.00 0.00 C ATOM 0 H ILE A 61 -5.797 4.623 7.782 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.192 4.888 4.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.818 6.983 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.294 6.299 8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.074 7.670 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.469 8.390 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.584 7.320 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.249 6.919 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.696 5.824 7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.464 6.126 6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.672 4.734 6.850 1.00 0.00 H new ATOM 836 N LEU A 62 -3.806 4.848 4.116 1.00 0.00 N ATOM 837 CA LEU A 62 -2.446 4.630 3.662 1.00 0.00 C ATOM 838 C LEU A 62 -2.150 5.580 2.522 1.00 0.00 C ATOM 839 O LEU A 62 -2.982 5.828 1.680 1.00 0.00 O ATOM 840 CB LEU A 62 -2.438 3.237 3.114 1.00 0.00 C ATOM 841 CG LEU A 62 -1.078 2.572 3.221 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.029 3.476 2.610 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.757 2.300 4.677 1.00 0.00 C ATOM 0 H LEU A 62 -4.498 4.921 3.370 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.718 4.781 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.174 2.637 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.745 3.261 2.068 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.088 1.624 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.949 3.001 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.267 3.652 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.013 4.427 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.220 1.822 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.744 3.240 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.516 1.642 5.100 1.00 0.00 H new ATOM 855 N GLN A 63 -0.970 6.059 2.451 1.00 0.00 N ATOM 856 CA GLN A 63 -0.599 6.917 1.332 1.00 0.00 C ATOM 857 C GLN A 63 0.801 6.542 0.966 1.00 0.00 C ATOM 858 O GLN A 63 1.623 6.285 1.818 1.00 0.00 O ATOM 859 CB GLN A 63 -0.572 8.362 1.701 1.00 0.00 C ATOM 860 CG GLN A 63 -1.956 8.847 2.118 1.00 0.00 C ATOM 861 CD GLN A 63 -2.890 8.826 0.909 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.066 7.801 0.282 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.496 9.922 0.548 1.00 0.00 N ATOM 0 H GLN A 63 -0.231 5.890 3.133 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.327 6.782 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.133 8.519 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.217 8.950 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.353 8.210 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.892 9.857 2.524 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.349 10.783 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.118 9.918 -0.261 1.00 0.00 H new ATOM 872 N VAL A 64 1.088 6.546 -0.273 1.00 0.00 N ATOM 873 CA VAL A 64 2.467 6.196 -0.691 1.00 0.00 C ATOM 874 C VAL A 64 2.702 6.563 -2.152 1.00 0.00 C ATOM 875 O VAL A 64 1.965 6.161 -3.033 1.00 0.00 O ATOM 876 CB VAL A 64 2.750 4.664 -0.537 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.124 4.086 0.732 1.00 0.00 C ATOM 878 CG2 VAL A 64 2.180 3.915 -1.734 1.00 0.00 C ATOM 0 H VAL A 64 0.441 6.774 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 64 3.136 6.760 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 64 3.831 4.542 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.347 3.021 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.534 4.595 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.044 4.229 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.378 2.849 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.104 4.080 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.649 4.279 -2.648 1.00 0.00 H new ATOM 888 N GLU A 65 3.757 7.269 -2.416 1.00 0.00 N ATOM 889 CA GLU A 65 4.096 7.585 -3.823 1.00 0.00 C ATOM 890 C GLU A 65 4.590 6.272 -4.451 1.00 0.00 C ATOM 891 O GLU A 65 5.769 5.986 -4.483 1.00 0.00 O ATOM 892 CB GLU A 65 5.203 8.639 -3.872 1.00 0.00 C ATOM 893 CG GLU A 65 4.777 9.864 -3.060 1.00 0.00 C ATOM 894 CD GLU A 65 3.759 10.679 -3.861 1.00 0.00 C ATOM 895 OE1 GLU A 65 2.844 10.081 -4.401 1.00 0.00 O ATOM 896 OE2 GLU A 65 3.913 11.888 -3.921 1.00 0.00 O ATOM 0 H GLU A 65 4.400 7.642 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 65 3.235 7.984 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.129 8.228 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.402 8.925 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.342 9.551 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.646 10.478 -2.825 1.00 0.00 H new ATOM 903 N ILE A 66 3.679 5.471 -4.931 1.00 0.00 N ATOM 904 CA ILE A 66 4.048 4.156 -5.547 1.00 0.00 C ATOM 905 C ILE A 66 4.976 4.416 -6.700 1.00 0.00 C ATOM 906 O ILE A 66 4.731 5.249 -7.534 1.00 0.00 O ATOM 907 CB ILE A 66 2.809 3.464 -6.173 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.477 4.090 -5.735 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.767 1.980 -5.845 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.140 3.644 -4.316 1.00 0.00 C ATOM 0 H ILE A 66 2.679 5.671 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 66 4.487 3.535 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 66 2.923 3.609 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.544 5.177 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.682 3.792 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.885 1.531 -6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.663 1.496 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.724 1.847 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.194 4.091 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.055 2.558 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.930 3.965 -3.637 1.00 0.00 H new ATOM 922 N GLY A 67 5.996 3.666 -6.811 1.00 0.00 N ATOM 923 CA GLY A 67 6.862 3.852 -7.970 1.00 0.00 C ATOM 924 C GLY A 67 6.704 2.586 -8.824 1.00 0.00 C ATOM 925 O GLY A 67 6.590 1.490 -8.294 1.00 0.00 O ATOM 0 H GLY A 67 6.272 2.934 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.575 4.740 -8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.899 3.989 -7.664 1.00 0.00 H new ATOM 929 N ARG A 68 6.683 2.703 -10.119 1.00 0.00 N ATOM 930 CA ARG A 68 6.520 1.484 -10.959 1.00 0.00 C ATOM 931 C ARG A 68 7.820 0.714 -10.897 1.00 0.00 C ATOM 932 O ARG A 68 8.740 1.116 -10.215 1.00 0.00 O ATOM 933 CB ARG A 68 6.245 1.884 -12.410 1.00 0.00 C ATOM 934 CG ARG A 68 4.890 2.589 -12.499 1.00 0.00 C ATOM 935 CD ARG A 68 5.101 4.048 -12.910 1.00 0.00 C ATOM 936 NE ARG A 68 3.810 4.623 -13.385 1.00 0.00 N ATOM 937 CZ ARG A 68 3.248 4.157 -14.467 1.00 0.00 C ATOM 938 NH1 ARG A 68 3.961 3.498 -15.339 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.975 4.351 -14.676 1.00 0.00 N ATOM 0 H ARG A 68 6.771 3.581 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 68 5.687 0.882 -10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.034 2.543 -12.772 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.250 1.001 -13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.252 2.084 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.379 2.541 -11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.479 4.624 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.851 4.110 -13.699 1.00 0.00 H new ATOM 0 HE ARG A 68 3.366 5.380 -12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.956 3.348 -15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.523 3.133 -16.185 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.419 4.867 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.536 3.987 -15.521 1.00 0.00 H new ATOM 953 N THR A 69 7.953 -0.358 -11.620 1.00 0.00 N ATOM 954 CA THR A 69 9.232 -1.052 -11.579 1.00 0.00 C ATOM 955 C THR A 69 9.458 -1.835 -12.913 1.00 0.00 C ATOM 956 O THR A 69 8.898 -2.898 -13.117 1.00 0.00 O ATOM 957 CB THR A 69 9.289 -2.009 -10.399 1.00 0.00 C ATOM 958 OG1 THR A 69 9.012 -3.330 -10.834 1.00 0.00 O ATOM 959 CG2 THR A 69 8.282 -1.596 -9.330 1.00 0.00 C ATOM 0 H THR A 69 7.238 -0.766 -12.222 1.00 0.00 H new ATOM 0 HA THR A 69 10.022 -0.311 -11.459 1.00 0.00 H new ATOM 0 HB THR A 69 10.291 -1.974 -9.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.436 -3.299 -11.627 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.335 -2.291 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.513 -0.589 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.277 -1.612 -9.751 1.00 0.00 H new ATOM 967 N THR A 70 10.257 -1.285 -13.819 1.00 0.00 N ATOM 968 CA THR A 70 10.555 -1.906 -15.135 1.00 0.00 C ATOM 969 C THR A 70 11.097 -3.325 -14.920 1.00 0.00 C ATOM 970 O THR A 70 10.542 -4.066 -14.140 1.00 0.00 O ATOM 971 CB THR A 70 11.571 -1.022 -15.921 1.00 0.00 C ATOM 972 OG1 THR A 70 11.818 -1.602 -17.192 1.00 0.00 O ATOM 973 CG2 THR A 70 12.914 -0.850 -15.160 1.00 0.00 C ATOM 0 H THR A 70 10.726 -0.391 -13.675 1.00 0.00 H new ATOM 0 HA THR A 70 9.643 -1.974 -15.727 1.00 0.00 H new ATOM 0 HB THR A 70 11.128 -0.032 -16.033 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.455 -1.046 -17.687 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.588 -0.227 -15.748 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.728 -0.375 -14.197 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.370 -1.827 -15.001 1.00 0.00 H new ATOM 981 N CYS A 71 12.167 -3.727 -15.594 1.00 0.00 N ATOM 982 CA CYS A 71 12.684 -5.117 -15.396 1.00 0.00 C ATOM 983 C CYS A 71 11.487 -6.054 -15.156 1.00 0.00 C ATOM 984 O CYS A 71 11.183 -6.390 -14.028 1.00 0.00 O ATOM 985 CB CYS A 71 13.621 -5.143 -14.182 1.00 0.00 C ATOM 986 SG CYS A 71 14.565 -3.595 -14.092 1.00 0.00 S ATOM 0 H CYS A 71 12.689 -3.156 -16.259 1.00 0.00 H new ATOM 0 HA CYS A 71 13.237 -5.444 -16.276 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.042 -5.279 -13.268 1.00 0.00 H new ATOM 0 HB3 CYS A 71 14.303 -5.990 -14.257 1.00 0.00 H new ATOM 991 N PRO A 72 10.813 -6.400 -16.224 1.00 0.00 N ATOM 992 CA PRO A 72 9.584 -7.256 -16.179 1.00 0.00 C ATOM 993 C PRO A 72 9.961 -8.729 -15.948 1.00 0.00 C ATOM 994 O PRO A 72 11.114 -9.044 -15.727 1.00 0.00 O ATOM 995 CB PRO A 72 8.972 -7.048 -17.561 1.00 0.00 C ATOM 996 CG PRO A 72 10.098 -6.608 -18.488 1.00 0.00 C ATOM 997 CD PRO A 72 11.203 -6.005 -17.618 1.00 0.00 C ATOM 0 HA PRO A 72 8.900 -6.998 -15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.514 -7.969 -17.922 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.186 -6.294 -17.525 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.479 -7.456 -19.058 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.736 -5.876 -19.210 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.183 -6.398 -17.886 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.253 -4.922 -17.728 1.00 0.00 H new ATOM 1005 N LYS A 73 9.009 -9.637 -16.003 1.00 0.00 N ATOM 1006 CA LYS A 73 9.329 -11.080 -15.788 1.00 0.00 C ATOM 1007 C LYS A 73 8.052 -11.828 -15.391 1.00 0.00 C ATOM 1008 O LYS A 73 7.554 -12.657 -16.126 1.00 0.00 O ATOM 1009 CB LYS A 73 10.363 -11.225 -14.668 1.00 0.00 C ATOM 1010 CG LYS A 73 11.708 -11.643 -15.266 1.00 0.00 C ATOM 1011 CD LYS A 73 12.278 -12.819 -14.469 1.00 0.00 C ATOM 1012 CE LYS A 73 13.544 -13.334 -15.154 1.00 0.00 C ATOM 1013 NZ LYS A 73 14.039 -14.545 -14.438 1.00 0.00 N ATOM 0 H LYS A 73 8.026 -9.436 -16.188 1.00 0.00 H new ATOM 0 HA LYS A 73 9.734 -11.497 -16.710 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.469 -10.282 -14.132 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.028 -11.968 -13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.581 -11.926 -16.311 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.404 -10.804 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.505 -12.505 -13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.539 -13.617 -14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.334 -13.575 -16.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.311 -12.560 -15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.900 -14.896 -14.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.254 -14.301 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.308 -15.284 -14.460 1.00 0.00 H new ATOM 1027 N SER A 74 7.514 -11.542 -14.231 1.00 0.00 N ATOM 1028 CA SER A 74 6.271 -12.235 -13.790 1.00 0.00 C ATOM 1029 C SER A 74 5.881 -11.732 -12.397 1.00 0.00 C ATOM 1030 O SER A 74 4.942 -10.973 -12.245 1.00 0.00 O ATOM 1031 CB SER A 74 6.519 -13.745 -13.737 1.00 0.00 C ATOM 1032 OG SER A 74 7.917 -13.997 -13.749 1.00 0.00 O ATOM 0 H SER A 74 7.885 -10.857 -13.572 1.00 0.00 H new ATOM 0 HA SER A 74 5.466 -12.026 -14.494 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.071 -14.166 -12.837 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.044 -14.232 -14.588 1.00 0.00 H new ATOM 0 HG SER A 74 8.076 -14.963 -13.714 1.00 0.00 H new ATOM 1038 N SER A 75 6.591 -12.140 -11.374 1.00 0.00 N ATOM 1039 CA SER A 75 6.253 -11.673 -10.003 1.00 0.00 C ATOM 1040 C SER A 75 7.394 -12.035 -9.050 1.00 0.00 C ATOM 1041 O SER A 75 8.397 -11.353 -8.989 1.00 0.00 O ATOM 1042 CB SER A 75 4.951 -12.338 -9.541 1.00 0.00 C ATOM 1043 OG SER A 75 3.844 -11.648 -10.099 1.00 0.00 O ATOM 0 H SER A 75 7.387 -12.775 -11.433 1.00 0.00 H new ATOM 0 HA SER A 75 6.117 -10.592 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.935 -13.383 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.890 -12.326 -8.453 1.00 0.00 H new ATOM 0 HG SER A 75 4.161 -11.014 -10.776 1.00 0.00 H new ATOM 1049 N GLY A 76 7.252 -13.100 -8.312 1.00 0.00 N ATOM 1050 CA GLY A 76 8.328 -13.512 -7.364 1.00 0.00 C ATOM 1051 C GLY A 76 8.902 -12.276 -6.660 1.00 0.00 C ATOM 1052 O GLY A 76 8.386 -11.833 -5.654 1.00 0.00 O ATOM 0 H GLY A 76 6.433 -13.707 -8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.929 -14.209 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.118 -14.035 -7.902 1.00 0.00 H new ATOM 1056 N ASP A 77 9.964 -11.718 -7.181 1.00 0.00 N ATOM 1057 CA ASP A 77 10.567 -10.515 -6.539 1.00 0.00 C ATOM 1058 C ASP A 77 11.994 -10.325 -7.059 1.00 0.00 C ATOM 1059 O ASP A 77 12.888 -9.957 -6.324 1.00 0.00 O ATOM 1060 CB ASP A 77 10.601 -10.708 -5.021 1.00 0.00 C ATOM 1061 CG ASP A 77 10.948 -12.163 -4.702 1.00 0.00 C ATOM 1062 OD1 ASP A 77 11.865 -12.681 -5.318 1.00 0.00 O ATOM 1063 OD2 ASP A 77 10.290 -12.734 -3.849 1.00 0.00 O ATOM 0 H ASP A 77 10.439 -12.044 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 77 9.969 -9.636 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.338 -10.040 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.634 -10.450 -4.589 1.00 0.00 H new ATOM 1068 N LEU A 78 12.216 -10.579 -8.321 1.00 0.00 N ATOM 1069 CA LEU A 78 13.587 -10.419 -8.880 1.00 0.00 C ATOM 1070 C LEU A 78 13.622 -9.210 -9.823 1.00 0.00 C ATOM 1071 O LEU A 78 14.189 -8.184 -9.507 1.00 0.00 O ATOM 1072 CB LEU A 78 13.969 -11.679 -9.658 1.00 0.00 C ATOM 1073 CG LEU A 78 14.963 -12.505 -8.840 1.00 0.00 C ATOM 1074 CD1 LEU A 78 14.245 -13.130 -7.645 1.00 0.00 C ATOM 1075 CD2 LEU A 78 15.550 -13.609 -9.721 1.00 0.00 C ATOM 0 H LEU A 78 11.508 -10.890 -8.987 1.00 0.00 H new ATOM 0 HA LEU A 78 14.293 -10.263 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.079 -12.270 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.409 -11.407 -10.617 1.00 0.00 H new ATOM 0 HG LEU A 78 15.766 -11.861 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.953 -13.719 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.826 -12.342 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.442 -13.776 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 78 16.259 -14.199 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.748 -14.254 -10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.062 -13.161 -10.572 1.00 0.00 H new ATOM 1087 N GLN A 79 13.027 -9.324 -10.984 1.00 0.00 N ATOM 1088 CA GLN A 79 13.040 -8.181 -11.941 1.00 0.00 C ATOM 1089 C GLN A 79 11.974 -7.155 -11.543 1.00 0.00 C ATOM 1090 O GLN A 79 10.812 -7.473 -11.390 1.00 0.00 O ATOM 1091 CB GLN A 79 12.759 -8.697 -13.354 1.00 0.00 C ATOM 1092 CG GLN A 79 13.913 -9.595 -13.802 1.00 0.00 C ATOM 1093 CD GLN A 79 14.338 -9.207 -15.220 1.00 0.00 C ATOM 1094 OE1 GLN A 79 14.038 -9.904 -16.169 1.00 0.00 O ATOM 1095 NE2 GLN A 79 15.033 -8.118 -15.406 1.00 0.00 N ATOM 0 H GLN A 79 12.535 -10.157 -11.308 1.00 0.00 H new ATOM 0 HA GLN A 79 14.019 -7.702 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.822 -9.254 -13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.645 -7.860 -14.043 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.755 -9.493 -13.117 1.00 0.00 H new ATOM 0 HG3 GLN A 79 13.606 -10.641 -13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.285 -7.532 -14.610 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.324 -7.853 -16.347 1.00 0.00 H new ATOM 1104 N SER A 80 12.371 -5.921 -11.374 1.00 0.00 N ATOM 1105 CA SER A 80 11.402 -4.857 -10.982 1.00 0.00 C ATOM 1106 C SER A 80 12.176 -3.547 -10.729 1.00 0.00 C ATOM 1107 O SER A 80 12.352 -3.156 -9.592 1.00 0.00 O ATOM 1108 CB SER A 80 10.709 -5.281 -9.687 1.00 0.00 C ATOM 1109 OG SER A 80 11.488 -6.274 -9.036 1.00 0.00 O ATOM 0 H SER A 80 13.333 -5.603 -11.492 1.00 0.00 H new ATOM 0 HA SER A 80 10.665 -4.708 -11.771 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.579 -4.419 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.714 -5.669 -9.905 1.00 0.00 H new ATOM 0 HG SER A 80 11.045 -6.545 -8.205 1.00 0.00 H new ATOM 1115 N CYS A 81 12.674 -2.866 -11.748 1.00 0.00 N ATOM 1116 CA CYS A 81 13.449 -1.621 -11.460 1.00 0.00 C ATOM 1117 C CYS A 81 13.053 -0.470 -12.379 1.00 0.00 C ATOM 1118 O CYS A 81 13.876 0.185 -12.984 1.00 0.00 O ATOM 1119 CB CYS A 81 14.951 -1.878 -11.593 1.00 0.00 C ATOM 1120 SG CYS A 81 15.290 -3.560 -12.202 1.00 0.00 S ATOM 0 H CYS A 81 12.578 -3.114 -12.733 1.00 0.00 H new ATOM 0 HA CYS A 81 13.212 -1.335 -10.435 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.387 -1.148 -12.275 1.00 0.00 H new ATOM 0 HB3 CYS A 81 15.432 -1.737 -10.625 1.00 0.00 H new ATOM 1125 N GLU A 82 11.792 -0.208 -12.415 1.00 0.00 N ATOM 1126 CA GLU A 82 11.220 0.959 -13.245 1.00 0.00 C ATOM 1127 C GLU A 82 11.797 2.130 -12.716 1.00 0.00 C ATOM 1128 O GLU A 82 11.833 3.123 -13.348 1.00 0.00 O ATOM 1129 CB GLU A 82 9.695 1.226 -13.125 1.00 0.00 C ATOM 1130 CG GLU A 82 9.317 2.368 -14.074 1.00 0.00 C ATOM 1131 CD GLU A 82 9.923 2.107 -15.455 1.00 0.00 C ATOM 1132 OE1 GLU A 82 9.372 1.295 -16.179 1.00 0.00 O ATOM 1133 OE2 GLU A 82 10.927 2.727 -15.766 1.00 0.00 O ATOM 0 H GLU A 82 11.088 -0.743 -11.906 1.00 0.00 H new ATOM 0 HA GLU A 82 11.431 0.701 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.134 0.326 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.437 1.487 -12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.233 2.448 -14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.679 3.317 -13.680 1.00 0.00 H new ATOM 1140 N PHE A 83 12.230 2.002 -11.544 1.00 0.00 N ATOM 1141 CA PHE A 83 12.823 3.101 -10.873 1.00 0.00 C ATOM 1142 C PHE A 83 13.981 3.648 -11.738 1.00 0.00 C ATOM 1143 O PHE A 83 14.647 4.589 -11.366 1.00 0.00 O ATOM 1144 CB PHE A 83 13.260 2.595 -9.518 1.00 0.00 C ATOM 1145 CG PHE A 83 11.985 2.286 -8.769 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.261 3.336 -8.215 1.00 0.00 C ATOM 1147 CD2 PHE A 83 11.498 0.968 -8.668 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.053 3.093 -7.567 1.00 0.00 C ATOM 1149 CE2 PHE A 83 10.284 0.720 -8.000 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.556 1.796 -7.450 1.00 0.00 C ATOM 0 H PHE A 83 12.192 1.137 -11.004 1.00 0.00 H new ATOM 0 HA PHE A 83 12.138 3.936 -10.723 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.883 1.706 -9.614 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.852 3.344 -8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.638 4.346 -8.288 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.054 0.150 -9.102 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.495 3.918 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.912 -0.290 -7.909 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.620 1.616 -6.942 1.00 0.00 H new ATOM 1160 N HIS A 84 14.237 3.035 -12.896 1.00 0.00 N ATOM 1161 CA HIS A 84 15.342 3.479 -13.771 1.00 0.00 C ATOM 1162 C HIS A 84 16.607 3.231 -13.001 1.00 0.00 C ATOM 1163 O HIS A 84 16.585 3.156 -11.788 1.00 0.00 O ATOM 1164 CB HIS A 84 15.201 4.947 -14.162 1.00 0.00 C ATOM 1165 CG HIS A 84 16.029 5.232 -15.389 1.00 0.00 C ATOM 1166 ND1 HIS A 84 16.576 4.226 -16.174 1.00 0.00 N ATOM 1167 CD2 HIS A 84 16.414 6.412 -15.976 1.00 0.00 C ATOM 1168 CE1 HIS A 84 17.254 4.816 -17.175 1.00 0.00 C ATOM 1169 NE2 HIS A 84 17.188 6.147 -17.101 1.00 0.00 N ATOM 0 H HIS A 84 13.707 2.240 -13.252 1.00 0.00 H new ATOM 0 HA HIS A 84 15.339 2.929 -14.712 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.154 5.182 -14.356 1.00 0.00 H new ATOM 0 HB3 HIS A 84 15.523 5.584 -13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 84 16.155 7.398 -15.618 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.787 4.278 -17.945 1.00 0.00 H new ATOM 0 HE2 HIS A 84 17.614 6.824 -17.734 1.00 0.00 H new ATOM 1177 N ASP A 85 17.702 3.051 -13.663 1.00 0.00 N ATOM 1178 CA ASP A 85 18.932 2.756 -12.906 1.00 0.00 C ATOM 1179 C ASP A 85 19.039 3.737 -11.726 1.00 0.00 C ATOM 1180 O ASP A 85 19.659 3.460 -10.718 1.00 0.00 O ATOM 1181 CB ASP A 85 20.155 2.887 -13.816 1.00 0.00 C ATOM 1182 CG ASP A 85 20.268 1.644 -14.700 1.00 0.00 C ATOM 1183 OD1 ASP A 85 19.375 0.814 -14.639 1.00 0.00 O ATOM 1184 OD2 ASP A 85 21.244 1.544 -15.425 1.00 0.00 O ATOM 0 H ASP A 85 17.799 3.094 -14.677 1.00 0.00 H new ATOM 0 HA ASP A 85 18.894 1.734 -12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 85 20.067 3.780 -14.435 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.057 3.003 -13.216 1.00 0.00 H new ATOM 1189 N GLU A 86 18.412 4.881 -11.854 1.00 0.00 N ATOM 1190 CA GLU A 86 18.429 5.904 -10.763 1.00 0.00 C ATOM 1191 C GLU A 86 17.039 6.576 -10.705 1.00 0.00 C ATOM 1192 O GLU A 86 16.190 6.276 -11.517 1.00 0.00 O ATOM 1193 CB GLU A 86 19.532 6.932 -11.067 1.00 0.00 C ATOM 1194 CG GLU A 86 18.987 8.062 -11.950 1.00 0.00 C ATOM 1195 CD GLU A 86 20.146 8.745 -12.677 1.00 0.00 C ATOM 1196 OE1 GLU A 86 21.231 8.189 -12.674 1.00 0.00 O ATOM 1197 OE2 GLU A 86 19.927 9.812 -13.227 1.00 0.00 O ATOM 0 H GLU A 86 17.881 5.153 -12.681 1.00 0.00 H new ATOM 0 HA GLU A 86 18.640 5.448 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.919 7.345 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.366 6.441 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.275 7.662 -12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.448 8.787 -11.340 1.00 0.00 H new ATOM 1204 N PRO A 87 16.839 7.463 -9.756 1.00 0.00 N ATOM 1205 CA PRO A 87 15.536 8.190 -9.579 1.00 0.00 C ATOM 1206 C PRO A 87 15.389 9.255 -10.683 1.00 0.00 C ATOM 1207 O PRO A 87 15.299 8.901 -11.841 1.00 0.00 O ATOM 1208 CB PRO A 87 15.664 8.779 -8.174 1.00 0.00 C ATOM 1209 CG PRO A 87 17.151 8.892 -7.872 1.00 0.00 C ATOM 1210 CD PRO A 87 17.878 7.873 -8.755 1.00 0.00 C ATOM 0 HA PRO A 87 14.643 7.571 -9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.184 9.756 -8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.169 8.141 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.508 9.901 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.345 8.693 -6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.749 8.313 -9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.233 7.021 -8.175 1.00 0.00 H new ATOM 1218 N GLU A 88 15.368 10.534 -10.332 1.00 0.00 N ATOM 1219 CA GLU A 88 15.242 11.649 -11.336 1.00 0.00 C ATOM 1220 C GLU A 88 14.841 11.108 -12.700 1.00 0.00 C ATOM 1221 O GLU A 88 15.536 11.276 -13.680 1.00 0.00 O ATOM 1222 CB GLU A 88 16.586 12.371 -11.456 1.00 0.00 C ATOM 1223 CG GLU A 88 16.606 13.573 -10.509 1.00 0.00 C ATOM 1224 CD GLU A 88 17.189 13.151 -9.160 1.00 0.00 C ATOM 1225 OE1 GLU A 88 16.574 12.327 -8.502 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.241 13.658 -8.807 1.00 0.00 O ATOM 0 H GLU A 88 15.435 10.853 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 88 14.470 12.339 -10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.400 11.689 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.743 12.701 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.202 14.378 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.596 13.961 -10.375 1.00 0.00 H new ATOM 1233 N LEU A 89 13.727 10.446 -12.755 1.00 0.00 N ATOM 1234 CA LEU A 89 13.267 9.861 -14.043 1.00 0.00 C ATOM 1235 C LEU A 89 12.239 8.777 -13.758 1.00 0.00 C ATOM 1236 O LEU A 89 11.284 8.607 -14.489 1.00 0.00 O ATOM 1237 CB LEU A 89 14.456 9.248 -14.789 1.00 0.00 C ATOM 1238 CG LEU A 89 14.888 10.185 -15.918 1.00 0.00 C ATOM 1239 CD1 LEU A 89 16.412 10.322 -15.911 1.00 0.00 C ATOM 1240 CD2 LEU A 89 14.434 9.610 -17.261 1.00 0.00 C ATOM 0 H LEU A 89 13.109 10.282 -11.960 1.00 0.00 H new ATOM 0 HA LEU A 89 12.822 10.643 -14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 89 15.285 9.084 -14.101 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.181 8.274 -15.195 1.00 0.00 H new ATOM 0 HG LEU A 89 14.434 11.165 -15.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.721 10.990 -16.715 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.736 10.732 -14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.866 9.342 -16.058 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.742 10.278 -18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.888 8.630 -17.409 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.348 9.512 -17.266 1.00 0.00 H new ATOM 1252 N ALA A 90 12.419 8.047 -12.694 1.00 0.00 N ATOM 1253 CA ALA A 90 11.446 6.995 -12.363 1.00 0.00 C ATOM 1254 C ALA A 90 10.325 7.607 -11.546 1.00 0.00 C ATOM 1255 O ALA A 90 10.094 7.226 -10.420 1.00 0.00 O ATOM 1256 CB ALA A 90 12.072 5.872 -11.553 1.00 0.00 C ATOM 0 H ALA A 90 13.200 8.140 -12.045 1.00 0.00 H new ATOM 0 HA ALA A 90 11.077 6.575 -13.299 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.316 5.118 -11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.881 5.418 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.468 6.273 -10.620 1.00 0.00 H new ATOM 1262 N LYS A 91 9.664 8.579 -12.093 1.00 0.00 N ATOM 1263 CA LYS A 91 8.571 9.255 -11.362 1.00 0.00 C ATOM 1264 C LYS A 91 7.724 8.236 -10.627 1.00 0.00 C ATOM 1265 O LYS A 91 7.959 7.045 -10.635 1.00 0.00 O ATOM 1266 CB LYS A 91 7.654 10.043 -12.298 1.00 0.00 C ATOM 1267 CG LYS A 91 8.413 10.490 -13.548 1.00 0.00 C ATOM 1268 CD LYS A 91 7.800 11.784 -14.085 1.00 0.00 C ATOM 1269 CE LYS A 91 8.659 12.321 -15.232 1.00 0.00 C ATOM 1270 NZ LYS A 91 9.056 13.727 -14.940 1.00 0.00 N ATOM 0 H LYS A 91 9.839 8.939 -13.031 1.00 0.00 H new ATOM 0 HA LYS A 91 9.043 9.946 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.802 9.426 -12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.256 10.914 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.465 10.645 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.370 9.712 -14.310 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.784 11.600 -14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.734 12.525 -13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.546 11.700 -15.358 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.103 12.276 -16.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.640 14.092 -15.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.204 14.315 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.602 13.757 -14.055 1.00 0.00 H new ATOM 1284 N TYR A 92 6.764 8.727 -9.949 1.00 0.00 N ATOM 1285 CA TYR A 92 5.914 7.871 -9.126 1.00 0.00 C ATOM 1286 C TYR A 92 4.446 8.312 -9.202 1.00 0.00 C ATOM 1287 O TYR A 92 4.088 9.240 -9.899 1.00 0.00 O ATOM 1288 CB TYR A 92 6.473 8.034 -7.725 1.00 0.00 C ATOM 1289 CG TYR A 92 7.982 7.865 -7.793 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.799 8.951 -8.144 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.564 6.617 -7.538 1.00 0.00 C ATOM 1292 CE1 TYR A 92 10.185 8.787 -8.231 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.951 6.453 -7.628 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.761 7.538 -7.973 1.00 0.00 C ATOM 1295 OH TYR A 92 12.129 7.377 -8.063 1.00 0.00 O ATOM 0 H TYR A 92 6.522 9.718 -9.928 1.00 0.00 H new ATOM 0 HA TYR A 92 5.920 6.832 -9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.218 9.016 -7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.038 7.294 -7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.356 9.915 -8.347 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.940 5.777 -7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.812 9.625 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.395 5.488 -7.431 1.00 0.00 H new ATOM 0 HH TYR A 92 12.364 6.449 -7.852 1.00 0.00 H new ATOM 1305 N THR A 93 3.610 7.628 -8.482 1.00 0.00 N ATOM 1306 CA THR A 93 2.155 7.936 -8.460 1.00 0.00 C ATOM 1307 C THR A 93 1.699 8.021 -7.003 1.00 0.00 C ATOM 1308 O THR A 93 2.287 7.425 -6.123 1.00 0.00 O ATOM 1309 CB THR A 93 1.376 6.823 -9.190 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.106 7.325 -9.583 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.177 5.599 -8.277 1.00 0.00 C ATOM 0 H THR A 93 3.881 6.844 -7.889 1.00 0.00 H new ATOM 0 HA THR A 93 1.965 8.883 -8.964 1.00 0.00 H new ATOM 0 HB THR A 93 1.949 6.513 -10.064 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.393 6.622 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.625 4.829 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.149 5.207 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.616 5.894 -7.390 1.00 0.00 H new ATOM 1319 N THR A 94 0.659 8.755 -6.743 1.00 0.00 N ATOM 1320 CA THR A 94 0.170 8.883 -5.342 1.00 0.00 C ATOM 1321 C THR A 94 -1.003 7.936 -5.128 1.00 0.00 C ATOM 1322 O THR A 94 -2.058 8.103 -5.707 1.00 0.00 O ATOM 1323 CB THR A 94 -0.279 10.322 -5.083 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.825 11.201 -5.259 1.00 0.00 O ATOM 1325 CG2 THR A 94 -0.807 10.445 -3.653 1.00 0.00 C ATOM 0 H THR A 94 0.124 9.274 -7.439 1.00 0.00 H new ATOM 0 HA THR A 94 0.975 8.628 -4.652 1.00 0.00 H new ATOM 0 HB THR A 94 -1.070 10.587 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.647 10.677 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.126 11.471 -3.470 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.654 9.772 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.018 10.180 -2.950 1.00 0.00 H new ATOM 1333 N CYS A 95 -0.833 6.930 -4.314 1.00 0.00 N ATOM 1334 CA CYS A 95 -1.948 5.982 -4.100 1.00 0.00 C ATOM 1335 C CYS A 95 -2.389 6.002 -2.636 1.00 0.00 C ATOM 1336 O CYS A 95 -1.627 6.346 -1.745 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.469 4.598 -4.475 1.00 0.00 C ATOM 1338 SG CYS A 95 -2.860 3.618 -5.079 1.00 0.00 S ATOM 0 H CYS A 95 0.022 6.730 -3.796 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.801 6.267 -4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.698 4.665 -5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.017 4.112 -3.610 1.00 0.00 H new ATOM 1343 N THR A 96 -3.619 5.631 -2.389 1.00 0.00 N ATOM 1344 CA THR A 96 -4.138 5.618 -0.996 1.00 0.00 C ATOM 1345 C THR A 96 -4.808 4.271 -0.709 1.00 0.00 C ATOM 1346 O THR A 96 -5.608 3.784 -1.489 1.00 0.00 O ATOM 1347 CB THR A 96 -5.172 6.734 -0.827 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.673 7.935 -1.399 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.459 6.952 0.660 1.00 0.00 C ATOM 0 H THR A 96 -4.288 5.335 -3.100 1.00 0.00 H new ATOM 0 HA THR A 96 -3.310 5.772 -0.303 1.00 0.00 H new ATOM 0 HB THR A 96 -6.095 6.449 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.731 8.048 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.195 7.747 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.848 6.031 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.538 7.233 1.171 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.495 3.668 0.408 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.109 2.365 0.765 1.00 0.00 C ATOM 1359 C PHE A 97 -5.999 2.557 1.988 1.00 0.00 C ATOM 1360 O PHE A 97 -5.596 3.158 2.965 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.025 1.349 1.124 1.00 0.00 C ATOM 1362 CG PHE A 97 -2.874 1.367 0.118 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.030 1.896 -1.177 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.630 0.831 0.487 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -1.960 1.887 -2.070 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.568 0.821 -0.407 1.00 0.00 C ATOM 1367 CZ PHE A 97 -0.726 1.350 -1.687 1.00 0.00 C ATOM 0 H PHE A 97 -3.832 4.031 1.093 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.685 2.002 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.640 1.565 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.460 0.350 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.981 2.310 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.498 0.422 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.084 2.296 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.382 0.403 -0.110 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.102 1.345 -2.381 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.196 2.041 1.968 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.071 2.199 3.164 1.00 0.00 C ATOM 1379 C VAL A 98 -8.502 0.804 3.621 1.00 0.00 C ATOM 1380 O VAL A 98 -9.330 0.166 3.002 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.283 3.055 2.799 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.415 2.818 3.799 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -8.883 4.533 2.824 1.00 0.00 C ATOM 0 H VAL A 98 -7.602 1.524 1.188 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.539 2.698 3.974 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.627 2.781 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.274 3.433 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.702 1.767 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.078 3.085 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.745 5.148 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.535 4.799 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.084 4.706 2.103 1.00 0.00 H new ATOM 1393 N VAL A 99 -7.912 0.302 4.676 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.261 -1.073 5.130 1.00 0.00 C ATOM 1395 C VAL A 99 -9.043 -1.050 6.447 1.00 0.00 C ATOM 1396 O VAL A 99 -8.597 -0.519 7.436 1.00 0.00 O ATOM 1397 CB VAL A 99 -6.963 -1.887 5.305 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.050 -2.791 6.542 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -6.761 -2.738 4.060 1.00 0.00 C ATOM 0 H VAL A 99 -7.209 0.783 5.237 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.899 -1.536 4.377 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.123 -1.206 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.124 -3.356 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.203 -2.178 7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.885 -3.482 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.847 -3.323 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.610 -3.411 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.681 -2.091 3.186 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.181 -1.676 6.475 1.00 0.00 N ATOM 1410 CA TYR A 100 -10.959 -1.722 7.739 1.00 0.00 C ATOM 1411 C TYR A 100 -10.645 -3.032 8.478 1.00 0.00 C ATOM 1412 O TYR A 100 -10.787 -4.107 7.926 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.447 -1.653 7.420 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.154 -0.896 8.514 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.592 -1.568 9.658 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -13.366 0.481 8.383 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.241 -0.863 10.675 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.015 1.187 9.399 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.454 0.515 10.546 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.097 1.209 11.550 1.00 0.00 O ATOM 0 H TYR A 100 -10.605 -2.156 5.681 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.688 -0.876 8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.603 -1.160 6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.859 -2.658 7.332 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.429 -2.631 9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -13.028 0.998 7.497 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.578 -1.381 11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -14.178 2.250 9.300 1.00 0.00 H new ATOM 0 HH TYR A 100 -15.812 0.654 11.926 1.00 0.00 H new ATOM 1430 N SER A 101 -10.218 -2.959 9.716 1.00 0.00 N ATOM 1431 CA SER A 101 -9.903 -4.204 10.466 1.00 0.00 C ATOM 1432 C SER A 101 -10.796 -4.278 11.718 1.00 0.00 C ATOM 1433 O SER A 101 -10.833 -3.363 12.525 1.00 0.00 O ATOM 1434 CB SER A 101 -8.432 -4.189 10.865 1.00 0.00 C ATOM 1435 OG SER A 101 -7.856 -5.457 10.611 1.00 0.00 O ATOM 0 H SER A 101 -10.076 -2.092 10.234 1.00 0.00 H new ATOM 0 HA SER A 101 -10.092 -5.077 9.842 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.901 -3.419 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.334 -3.939 11.922 1.00 0.00 H new ATOM 0 HG SER A 101 -6.910 -5.444 10.867 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.521 -5.362 11.870 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.421 -5.539 13.055 1.00 0.00 C ATOM 1443 C ILE A 102 -11.731 -6.519 14.026 1.00 0.00 C ATOM 1444 O ILE A 102 -11.614 -7.691 13.722 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.751 -6.134 12.575 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.076 -5.571 11.181 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.862 -5.757 13.557 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.571 -5.720 10.883 1.00 0.00 C ATOM 0 H ILE A 102 -11.527 -6.142 11.213 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.611 -4.588 13.553 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.674 -7.220 12.522 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.791 -4.520 11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.493 -6.096 10.424 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.807 -6.179 13.217 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.623 -6.151 14.545 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.948 -4.672 13.610 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.787 -5.317 9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.845 -6.775 10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.147 -5.174 11.630 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.260 -6.015 15.147 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.527 -6.833 16.178 1.00 0.00 C ATOM 1462 C PRO A 103 -11.400 -7.916 16.830 1.00 0.00 C ATOM 1463 O PRO A 103 -11.042 -9.076 16.832 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.076 -5.790 17.196 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.001 -4.597 17.026 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.398 -4.577 15.551 1.00 0.00 C ATOM 0 HA PRO A 103 -9.705 -7.398 15.737 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.135 -6.186 18.210 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.038 -5.504 17.025 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.879 -4.690 17.665 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.499 -3.671 17.307 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.416 -4.214 15.412 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.746 -3.929 14.966 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.521 -7.572 17.408 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.353 -8.632 18.064 1.00 0.00 C ATOM 1476 C TRP A 104 -13.731 -9.733 17.056 1.00 0.00 C ATOM 1477 O TRP A 104 -14.275 -10.752 17.429 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.634 -8.019 18.650 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.526 -7.530 17.550 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.371 -8.299 16.818 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.688 -6.171 17.059 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.023 -7.499 15.902 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.637 -6.179 16.009 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.106 -4.943 17.417 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.991 -5.012 15.336 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.462 -3.766 16.745 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.401 -3.801 15.705 1.00 0.00 C ATOM 0 H TRP A 104 -12.894 -6.624 17.456 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.762 -9.074 18.866 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.159 -8.762 19.250 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.379 -7.194 19.315 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.511 -9.364 16.933 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.707 -7.842 15.228 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.380 -4.906 18.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.716 -5.043 14.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.011 -2.827 17.030 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.668 -2.891 15.189 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.491 -9.530 15.786 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.878 -10.533 14.783 1.00 0.00 C ATOM 1500 C LEU A 105 -12.720 -10.777 13.812 1.00 0.00 C ATOM 1501 O LEU A 105 -12.880 -11.440 12.807 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.026 -9.908 14.043 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.290 -10.771 14.062 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.260 -11.754 12.889 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.408 -11.544 15.380 1.00 0.00 C ATOM 0 H LEU A 105 -13.037 -8.698 15.409 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.138 -11.490 15.236 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.249 -8.936 14.484 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.730 -9.729 13.009 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.155 -10.115 13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.161 -12.367 12.905 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.215 -11.200 11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.383 -12.396 12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.315 -12.149 15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.540 -12.193 15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.453 -10.841 16.212 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.559 -10.251 14.115 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.375 -10.436 13.232 1.00 0.00 C ATOM 1519 C ASN A 106 -10.810 -10.517 11.772 1.00 0.00 C ATOM 1520 O ASN A 106 -10.485 -11.446 11.059 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.665 -11.708 13.653 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.221 -11.683 13.151 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.772 -12.614 12.511 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.467 -10.651 13.416 1.00 0.00 N ATOM 0 H ASN A 106 -11.383 -9.693 14.951 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.698 -9.587 13.327 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.681 -11.802 14.739 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.185 -12.577 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.502 -10.626 13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.843 -9.869 13.953 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.548 -9.541 11.331 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.023 -9.534 9.919 1.00 0.00 C ATOM 1533 C GLN A 107 -11.522 -8.274 9.212 1.00 0.00 C ATOM 1534 O GLN A 107 -11.974 -7.177 9.477 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.553 -9.558 9.897 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.035 -10.902 9.347 1.00 0.00 C ATOM 1537 CD GLN A 107 -13.595 -11.046 7.890 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -13.278 -10.070 7.239 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -13.564 -12.231 7.344 1.00 0.00 N ATOM 0 H GLN A 107 -11.846 -8.742 11.890 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.636 -10.413 9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.944 -9.403 10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.931 -8.744 9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.627 -11.718 9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.121 -10.967 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.830 -13.051 7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.274 -12.337 6.372 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.594 -8.424 8.311 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.058 -7.245 7.575 1.00 0.00 C ATOM 1550 C ILE A 108 -10.803 -7.122 6.240 1.00 0.00 C ATOM 1551 O ILE A 108 -11.331 -8.087 5.724 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.548 -7.456 7.354 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.760 -6.609 8.355 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -8.133 -7.084 5.923 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.295 -6.495 7.917 1.00 0.00 C ATOM 0 H ILE A 108 -10.180 -9.319 8.050 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.204 -6.324 8.139 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.327 -8.513 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.203 -5.616 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.817 -7.059 9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.062 -7.245 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.676 -7.707 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.366 -6.035 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.746 -5.890 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.852 -7.490 7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.244 -6.024 6.935 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.852 -5.946 5.680 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.566 -5.779 4.384 1.00 0.00 C ATOM 1569 C LYS A 109 -10.989 -4.585 3.619 1.00 0.00 C ATOM 1570 O LYS A 109 -11.009 -3.465 4.090 1.00 0.00 O ATOM 1571 CB LYS A 109 -13.052 -5.540 4.652 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.820 -5.557 3.329 1.00 0.00 C ATOM 1573 CD LYS A 109 -15.032 -6.482 3.454 1.00 0.00 C ATOM 1574 CE LYS A 109 -16.161 -5.970 2.557 1.00 0.00 C ATOM 1575 NZ LYS A 109 -17.342 -6.870 2.682 1.00 0.00 N ATOM 0 H LYS A 109 -10.431 -5.098 6.061 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.439 -6.682 3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.440 -6.309 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.192 -4.582 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.144 -4.549 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.170 -5.899 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.758 -7.498 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.367 -6.522 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.433 -4.954 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.827 -5.932 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.110 -6.522 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.077 -7.833 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.665 -6.884 3.671 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.485 -4.815 2.435 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.923 -3.690 1.637 1.00 0.00 C ATOM 1591 C LEU A 110 -11.049 -2.733 1.276 1.00 0.00 C ATOM 1592 O LEU A 110 -12.211 -3.087 1.320 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.270 -4.228 0.368 1.00 0.00 C ATOM 1594 CG LEU A 110 -7.974 -3.458 0.107 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.115 -3.443 1.375 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.202 -4.142 -1.011 1.00 0.00 C ATOM 0 H LEU A 110 -10.439 -5.731 1.989 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.168 -3.165 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.060 -5.292 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.948 -4.121 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.214 -2.434 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.193 -2.893 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.665 -2.959 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.874 -4.466 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.277 -3.597 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.967 -5.165 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.808 -4.155 -1.917 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.729 -1.520 0.934 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.812 -0.559 0.594 1.00 0.00 C ATOM 1610 C LEU A 111 -11.300 0.486 -0.384 1.00 0.00 C ATOM 1611 O LEU A 111 -11.466 0.373 -1.583 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.287 0.136 1.872 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.347 -0.726 2.562 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.781 -1.280 3.872 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.580 0.126 2.863 1.00 0.00 C ATOM 0 H LEU A 111 -9.779 -1.155 0.875 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.638 -1.101 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.444 0.300 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.700 1.116 1.633 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.625 -1.552 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.536 -1.894 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.901 -1.887 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.503 -0.454 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.335 -0.488 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.301 0.951 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -14.984 0.522 1.932 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.696 1.510 0.126 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.182 2.588 -0.768 1.00 0.00 C ATOM 1629 C GLU A 112 -8.730 2.307 -1.158 1.00 0.00 C ATOM 1630 O GLU A 112 -7.829 3.048 -0.822 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.274 3.942 -0.062 1.00 0.00 C ATOM 1632 CG GLU A 112 -10.965 4.950 -0.985 1.00 0.00 C ATOM 1633 CD GLU A 112 -10.436 6.356 -0.693 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -9.950 6.568 0.405 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -10.526 7.195 -1.575 1.00 0.00 O ATOM 0 H GLU A 112 -10.532 1.655 1.122 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.792 2.612 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.832 3.842 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.277 4.296 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.781 4.690 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.044 4.917 -0.834 1.00 0.00 H new ATOM 1642 N SER A 113 -8.510 1.254 -1.890 1.00 0.00 N ATOM 1643 CA SER A 113 -7.130 0.925 -2.341 1.00 0.00 C ATOM 1644 C SER A 113 -7.015 1.314 -3.813 1.00 0.00 C ATOM 1645 O SER A 113 -7.196 0.502 -4.697 1.00 0.00 O ATOM 1646 CB SER A 113 -6.878 -0.577 -2.184 1.00 0.00 C ATOM 1647 OG SER A 113 -8.054 -1.292 -2.536 1.00 0.00 O ATOM 0 H SER A 113 -9.231 0.602 -2.198 1.00 0.00 H new ATOM 0 HA SER A 113 -6.395 1.465 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.048 -0.886 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.595 -0.804 -1.156 1.00 0.00 H new ATOM 0 HG SER A 113 -8.337 -1.032 -3.437 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.732 2.558 -4.081 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.626 3.004 -5.498 1.00 0.00 C ATOM 1655 C LYS A 114 -5.798 4.282 -5.564 1.00 0.00 C ATOM 1656 O LYS A 114 -5.598 4.953 -4.574 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.028 3.276 -6.050 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.140 2.706 -7.465 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.479 3.124 -8.080 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.625 2.509 -7.276 1.00 0.00 C ATOM 1661 NZ LYS A 114 -10.954 3.391 -6.122 1.00 0.00 N ATOM 0 H LYS A 114 -6.570 3.283 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.145 2.227 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.779 2.822 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.224 4.348 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.316 3.068 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.064 1.619 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.566 4.211 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.532 2.796 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.502 2.382 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.343 1.518 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.740 2.895 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.387 4.261 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.965 3.634 -6.148 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.307 4.621 -6.719 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.476 5.852 -6.838 1.00 0.00 C ATOM 1677 C CYS A 115 -5.192 6.871 -7.727 1.00 0.00 C ATOM 1678 O CYS A 115 -5.813 6.526 -8.711 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.116 5.499 -7.453 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.694 3.772 -7.087 1.00 0.00 S ATOM 0 H CYS A 115 -5.443 4.102 -7.586 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.323 6.281 -5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.145 5.653 -8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.346 6.161 -7.057 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.108 8.128 -7.383 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.781 9.174 -8.204 1.00 0.00 C ATOM 1687 C GLN A 116 -4.727 9.982 -8.964 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.577 10.107 -7.290 1.00 0.00 C ATOM 1689 CG GLN A 116 -7.288 11.166 -8.135 1.00 0.00 C ATOM 1690 CD GLN A 116 -7.521 12.421 -7.291 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -7.408 13.526 -7.783 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -7.845 12.298 -6.033 1.00 0.00 N ATOM 0 H GLN A 116 -4.602 8.475 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.457 8.698 -8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.306 9.536 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.911 10.586 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.688 11.411 -9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.239 10.778 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.940 11.371 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.003 13.129 -5.463 1.00 0.00 H new TER 1701 GLN A 116