USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 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 56 SER OG : rot -85:sc= -0.0115 USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 84 HIS : no HD1:sc= -19.2! C(o=-19!,f=-34!) USER MOD Set 2.2: A 92 TYR OH : rot 165:sc= -0.0309 USER MOD Set 3.1: A 49 SER OG : rot 180:sc= -0.0683 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -165:sc= 0.0127 (180deg=0) USER MOD Set 4.1: A 40 TYR OH : rot -82:sc= 0.402 USER MOD Set 4.2: A 42 SER OG : rot -88:sc= -0.469! USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0001 K(o=-0.0001,f=-1.5!) USER MOD Single : A 26 GLN : amide:sc= -0.461 K(o=-0.46,f=-3.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.852 USER MOD Single : A 33 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.43) USER MOD Single : A 36 SER OG : rot -71:sc= -0.651 USER MOD Single : A 37 ASN : amide:sc= -4.53! C(o=-4.5!,f=-9.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 127:sc= -2.09! USER MOD Single : A 63 GLN : amide:sc= -7.52! C(o=-7.5!,f=-8.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.00611 USER MOD Single : A 79 GLN : amide:sc= 0.0549 X(o=0.055,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.436 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -145:sc= -1.35! USER MOD Single : A 106 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.25) USER MOD Single : A 107 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.3!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 68:sc= -5.86! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -9.852 6.690 21.208 1.00 0.00 N ATOM 2 CA GLY A 9 -10.396 7.675 20.230 1.00 0.00 C ATOM 3 C GLY A 9 -9.240 8.376 19.514 1.00 0.00 C ATOM 4 O GLY A 9 -9.286 9.563 19.254 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.033 7.169 19.505 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.017 8.408 20.744 1.00 0.00 H new ATOM 7 N ALA A 10 -8.202 7.653 19.193 1.00 0.00 N ATOM 8 CA ALA A 10 -7.046 8.283 18.493 1.00 0.00 C ATOM 9 C ALA A 10 -6.588 7.377 17.345 1.00 0.00 C ATOM 10 O ALA A 10 -6.600 6.168 17.468 1.00 0.00 O ATOM 11 CB ALA A 10 -5.894 8.473 19.481 1.00 0.00 C ATOM 0 H ALA A 10 -8.104 6.656 19.384 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.347 9.252 18.094 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.049 8.934 18.970 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.218 9.117 20.299 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.593 7.504 19.880 1.00 0.00 H new ATOM 17 N PRO A 11 -6.195 7.994 16.260 1.00 0.00 N ATOM 18 CA PRO A 11 -5.714 7.286 15.037 1.00 0.00 C ATOM 19 C PRO A 11 -4.234 6.911 15.180 1.00 0.00 C ATOM 20 O PRO A 11 -3.368 7.764 15.181 1.00 0.00 O ATOM 21 CB PRO A 11 -5.903 8.327 13.943 1.00 0.00 C ATOM 22 CG PRO A 11 -5.889 9.696 14.618 1.00 0.00 C ATOM 23 CD PRO A 11 -6.181 9.483 16.108 1.00 0.00 C ATOM 0 HA PRO A 11 -6.243 6.354 14.839 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.107 8.255 13.201 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.844 8.167 13.417 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.921 10.179 14.483 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.637 10.351 14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.417 9.942 16.735 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.136 9.923 16.395 1.00 0.00 H new ATOM 31 N VAL A 12 -3.934 5.645 15.293 1.00 0.00 N ATOM 32 CA VAL A 12 -2.524 5.219 15.426 1.00 0.00 C ATOM 33 C VAL A 12 -1.950 5.027 14.018 1.00 0.00 C ATOM 34 O VAL A 12 -2.553 4.361 13.211 1.00 0.00 O ATOM 35 CB VAL A 12 -2.502 3.882 16.171 1.00 0.00 C ATOM 36 CG1 VAL A 12 -1.067 3.382 16.259 1.00 0.00 C ATOM 37 CG2 VAL A 12 -3.085 4.038 17.584 1.00 0.00 C ATOM 0 H VAL A 12 -4.616 4.886 15.298 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.936 5.959 15.969 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.113 3.163 15.625 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.045 2.430 16.789 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.666 3.247 15.254 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.460 4.110 16.797 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.060 3.076 18.096 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.494 4.763 18.144 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.116 4.386 17.516 1.00 0.00 H new ATOM 47 N PRO A 13 -0.814 5.614 13.746 1.00 0.00 N ATOM 48 CA PRO A 13 -0.173 5.518 12.400 1.00 0.00 C ATOM 49 C PRO A 13 0.369 4.116 12.145 1.00 0.00 C ATOM 50 O PRO A 13 0.495 3.306 13.042 1.00 0.00 O ATOM 51 CB PRO A 13 0.942 6.553 12.461 1.00 0.00 C ATOM 52 CG PRO A 13 1.263 6.763 13.933 1.00 0.00 C ATOM 53 CD PRO A 13 -0.005 6.422 14.721 1.00 0.00 C ATOM 0 HA PRO A 13 -0.869 5.704 11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.822 6.207 11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.628 7.488 11.996 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.092 6.126 14.242 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.567 7.793 14.118 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.223 5.853 15.623 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.536 7.320 15.036 1.00 0.00 H new ATOM 61 N VAL A 14 0.681 3.830 10.915 1.00 0.00 N ATOM 62 CA VAL A 14 1.209 2.483 10.569 1.00 0.00 C ATOM 63 C VAL A 14 2.575 2.301 11.244 1.00 0.00 C ATOM 64 O VAL A 14 3.169 3.245 11.726 1.00 0.00 O ATOM 65 CB VAL A 14 1.346 2.367 9.042 1.00 0.00 C ATOM 66 CG1 VAL A 14 2.226 1.183 8.702 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.022 2.134 8.393 1.00 0.00 C ATOM 0 H VAL A 14 0.593 4.474 10.129 1.00 0.00 H new ATOM 0 HA VAL A 14 0.528 1.707 10.919 1.00 0.00 H new ATOM 0 HB VAL A 14 1.779 3.295 8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.323 1.101 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.212 1.323 9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.777 0.271 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.097 2.055 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.455 1.211 8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.682 2.970 8.625 1.00 0.00 H new ATOM 77 N ASP A 15 3.070 1.093 11.299 1.00 0.00 N ATOM 78 CA ASP A 15 4.388 0.844 11.957 1.00 0.00 C ATOM 79 C ASP A 15 4.230 0.999 13.468 1.00 0.00 C ATOM 80 O ASP A 15 3.186 1.373 13.963 1.00 0.00 O ATOM 81 CB ASP A 15 5.441 1.841 11.454 1.00 0.00 C ATOM 82 CG ASP A 15 5.092 2.313 10.040 1.00 0.00 C ATOM 83 OD1 ASP A 15 5.319 1.556 9.112 1.00 0.00 O ATOM 84 OD2 ASP A 15 4.608 3.425 9.910 1.00 0.00 O ATOM 0 H ASP A 15 2.617 0.264 10.915 1.00 0.00 H new ATOM 0 HA ASP A 15 4.718 -0.166 11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.493 2.696 12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.425 1.373 11.456 1.00 0.00 H new ATOM 89 N GLU A 16 5.267 0.715 14.202 1.00 0.00 N ATOM 90 CA GLU A 16 5.194 0.845 15.685 1.00 0.00 C ATOM 91 C GLU A 16 4.275 -0.240 16.263 1.00 0.00 C ATOM 92 O GLU A 16 3.287 0.054 16.905 1.00 0.00 O ATOM 93 CB GLU A 16 4.635 2.223 16.046 1.00 0.00 C ATOM 94 CG GLU A 16 5.559 2.898 17.061 1.00 0.00 C ATOM 95 CD GLU A 16 4.921 4.202 17.543 1.00 0.00 C ATOM 96 OE1 GLU A 16 4.631 5.042 16.707 1.00 0.00 O ATOM 97 OE2 GLU A 16 4.736 4.339 18.741 1.00 0.00 O ATOM 0 H GLU A 16 6.166 0.397 13.839 1.00 0.00 H new ATOM 0 HA GLU A 16 6.194 0.729 16.103 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.549 2.839 15.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.632 2.123 16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.736 2.233 17.906 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.529 3.101 16.607 1.00 0.00 H new ATOM 104 N ASN A 17 4.591 -1.493 16.050 1.00 0.00 N ATOM 105 CA ASN A 17 3.731 -2.580 16.601 1.00 0.00 C ATOM 106 C ASN A 17 2.339 -2.516 15.962 1.00 0.00 C ATOM 107 O ASN A 17 1.335 -2.598 16.640 1.00 0.00 O ATOM 108 CB ASN A 17 3.599 -2.401 18.115 1.00 0.00 C ATOM 109 CG ASN A 17 4.622 -3.289 18.825 1.00 0.00 C ATOM 110 OD1 ASN A 17 4.411 -4.475 18.980 1.00 0.00 O ATOM 111 ND2 ASN A 17 5.731 -2.761 19.264 1.00 0.00 N ATOM 0 H ASN A 17 5.404 -1.807 15.520 1.00 0.00 H new ATOM 0 HA ASN A 17 4.186 -3.546 16.380 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.759 -1.357 18.384 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.590 -2.662 18.436 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.421 -3.344 19.737 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.908 -1.765 19.134 1.00 0.00 H new ATOM 118 N ASP A 18 2.265 -2.372 14.664 1.00 0.00 N ATOM 119 CA ASP A 18 0.932 -2.306 14.003 1.00 0.00 C ATOM 120 C ASP A 18 0.865 -3.347 12.889 1.00 0.00 C ATOM 121 O ASP A 18 0.877 -3.028 11.714 1.00 0.00 O ATOM 122 CB ASP A 18 0.717 -0.908 13.419 1.00 0.00 C ATOM 123 CG ASP A 18 0.335 0.059 14.541 1.00 0.00 C ATOM 124 OD1 ASP A 18 0.425 -0.335 15.692 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.043 1.176 14.230 1.00 0.00 O ATOM 0 H ASP A 18 3.067 -2.298 14.038 1.00 0.00 H new ATOM 0 HA ASP A 18 0.152 -2.511 14.736 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.625 -0.566 12.923 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.068 -0.934 12.664 1.00 0.00 H new ATOM 130 N GLU A 19 0.791 -4.592 13.256 1.00 0.00 N ATOM 131 CA GLU A 19 0.721 -5.675 12.235 1.00 0.00 C ATOM 132 C GLU A 19 -0.490 -5.441 11.327 1.00 0.00 C ATOM 133 O GLU A 19 -0.417 -5.608 10.126 1.00 0.00 O ATOM 134 CB GLU A 19 0.585 -7.031 12.932 1.00 0.00 C ATOM 135 CG GLU A 19 -0.609 -6.997 13.888 1.00 0.00 C ATOM 136 CD GLU A 19 -1.852 -7.529 13.173 1.00 0.00 C ATOM 137 OE1 GLU A 19 -1.793 -8.638 12.669 1.00 0.00 O ATOM 138 OE2 GLU A 19 -2.843 -6.818 13.142 1.00 0.00 O ATOM 0 H GLU A 19 0.776 -4.911 14.225 1.00 0.00 H new ATOM 0 HA GLU A 19 1.632 -5.668 11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.449 -7.820 12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.498 -7.262 13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.398 -7.600 14.771 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.783 -5.978 14.233 1.00 0.00 H new ATOM 145 N GLY A 20 -1.604 -5.051 11.887 1.00 0.00 N ATOM 146 CA GLY A 20 -2.809 -4.804 11.049 1.00 0.00 C ATOM 147 C GLY A 20 -2.463 -3.778 9.968 1.00 0.00 C ATOM 148 O GLY A 20 -2.645 -4.014 8.790 1.00 0.00 O ATOM 0 H GLY A 20 -1.730 -4.894 12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.146 -5.734 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.629 -4.438 11.667 1.00 0.00 H new ATOM 152 N LEU A 21 -1.955 -2.643 10.362 1.00 0.00 N ATOM 153 CA LEU A 21 -1.584 -1.602 9.364 1.00 0.00 C ATOM 154 C LEU A 21 -0.704 -2.230 8.288 1.00 0.00 C ATOM 155 O LEU A 21 -0.824 -1.920 7.119 1.00 0.00 O ATOM 156 CB LEU A 21 -0.824 -0.481 10.070 1.00 0.00 C ATOM 157 CG LEU A 21 -1.824 0.487 10.713 1.00 0.00 C ATOM 158 CD1 LEU A 21 -2.822 0.974 9.659 1.00 0.00 C ATOM 159 CD2 LEU A 21 -2.583 -0.230 11.833 1.00 0.00 C ATOM 0 H LEU A 21 -1.781 -2.391 11.335 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.481 -1.192 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.164 -0.898 10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.194 0.051 9.357 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.284 1.340 11.124 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.531 1.662 10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.286 1.487 8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.360 0.121 9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.294 0.459 12.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.120 -1.084 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.877 -0.576 12.588 1.00 0.00 H new ATOM 171 N GLN A 22 0.177 -3.118 8.663 1.00 0.00 N ATOM 172 CA GLN A 22 1.041 -3.763 7.639 1.00 0.00 C ATOM 173 C GLN A 22 0.155 -4.541 6.671 1.00 0.00 C ATOM 174 O GLN A 22 0.367 -4.534 5.476 1.00 0.00 O ATOM 175 CB GLN A 22 2.031 -4.713 8.316 1.00 0.00 C ATOM 176 CG GLN A 22 3.079 -3.896 9.078 1.00 0.00 C ATOM 177 CD GLN A 22 4.230 -4.811 9.502 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.180 -6.006 9.292 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.272 -4.296 10.094 1.00 0.00 N ATOM 0 H GLN A 22 0.333 -3.421 9.624 1.00 0.00 H new ATOM 0 HA GLN A 22 1.603 -3.002 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.504 -5.378 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.516 -5.342 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.455 -3.089 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.627 -3.432 9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.314 -3.292 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.045 -4.897 10.380 1.00 0.00 H new ATOM 188 N ARG A 23 -0.853 -5.195 7.175 1.00 0.00 N ATOM 189 CA ARG A 23 -1.770 -5.950 6.281 1.00 0.00 C ATOM 190 C ARG A 23 -2.533 -4.944 5.419 1.00 0.00 C ATOM 191 O ARG A 23 -3.059 -5.272 4.378 1.00 0.00 O ATOM 192 CB ARG A 23 -2.757 -6.763 7.121 1.00 0.00 C ATOM 193 CG ARG A 23 -2.385 -8.245 7.054 1.00 0.00 C ATOM 194 CD ARG A 23 -3.653 -9.084 6.883 1.00 0.00 C ATOM 195 NE ARG A 23 -3.819 -9.981 8.062 1.00 0.00 N ATOM 196 CZ ARG A 23 -3.673 -11.271 7.926 1.00 0.00 C ATOM 197 NH1 ARG A 23 -4.099 -11.865 6.846 1.00 0.00 N ATOM 198 NH2 ARG A 23 -3.101 -11.964 8.871 1.00 0.00 N ATOM 0 H ARG A 23 -1.081 -5.239 8.168 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.202 -6.633 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.740 -6.419 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.772 -6.615 6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.704 -8.422 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.861 -8.540 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.522 -8.433 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.590 -9.675 5.969 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.047 -9.587 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.546 -11.322 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.985 -12.873 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.768 -11.498 9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.986 -12.972 8.766 1.00 0.00 H new ATOM 212 N ALA A 24 -2.578 -3.715 5.851 1.00 0.00 N ATOM 213 CA ALA A 24 -3.285 -2.657 5.072 1.00 0.00 C ATOM 214 C ALA A 24 -2.464 -2.321 3.842 1.00 0.00 C ATOM 215 O ALA A 24 -2.938 -2.384 2.721 1.00 0.00 O ATOM 216 CB ALA A 24 -3.442 -1.405 5.939 1.00 0.00 C ATOM 0 H ALA A 24 -2.151 -3.394 6.720 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.271 -3.014 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.958 -0.631 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.022 -1.649 6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.458 -1.042 6.235 1.00 0.00 H new ATOM 222 N LEU A 25 -1.235 -1.964 4.039 1.00 0.00 N ATOM 223 CA LEU A 25 -0.372 -1.625 2.893 1.00 0.00 C ATOM 224 C LEU A 25 -0.230 -2.836 1.972 1.00 0.00 C ATOM 225 O LEU A 25 -0.204 -2.711 0.770 1.00 0.00 O ATOM 226 CB LEU A 25 0.982 -1.218 3.465 1.00 0.00 C ATOM 227 CG LEU A 25 2.007 -0.988 2.347 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.508 -2.336 1.820 1.00 0.00 C ATOM 229 CD2 LEU A 25 1.361 -0.200 1.209 1.00 0.00 C ATOM 0 H LEU A 25 -0.789 -1.893 4.954 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.797 -0.813 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.872 -0.308 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.343 -1.994 4.140 1.00 0.00 H new ATOM 0 HG LEU A 25 2.849 -0.421 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.236 -2.169 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.978 -2.892 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.668 -2.908 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.092 -0.039 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.515 -0.761 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.014 0.763 1.584 1.00 0.00 H new ATOM 241 N GLN A 26 -0.117 -4.001 2.523 1.00 0.00 N ATOM 242 CA GLN A 26 0.051 -5.215 1.665 1.00 0.00 C ATOM 243 C GLN A 26 -1.277 -5.648 1.023 1.00 0.00 C ATOM 244 O GLN A 26 -1.290 -6.263 -0.024 1.00 0.00 O ATOM 245 CB GLN A 26 0.606 -6.364 2.508 1.00 0.00 C ATOM 246 CG GLN A 26 2.081 -6.581 2.165 1.00 0.00 C ATOM 247 CD GLN A 26 2.231 -7.872 1.355 1.00 0.00 C ATOM 248 OE1 GLN A 26 1.323 -8.678 1.299 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.350 -8.106 0.723 1.00 0.00 N ATOM 0 H GLN A 26 -0.132 -4.176 3.528 1.00 0.00 H new ATOM 0 HA GLN A 26 0.746 -4.964 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.498 -6.137 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.039 -7.276 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.461 -5.734 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.673 -6.641 3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.113 -7.430 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.461 -8.964 0.183 1.00 0.00 H new ATOM 258 N PHE A 27 -2.387 -5.340 1.628 1.00 0.00 N ATOM 259 CA PHE A 27 -3.698 -5.743 1.037 1.00 0.00 C ATOM 260 C PHE A 27 -3.970 -4.890 -0.195 1.00 0.00 C ATOM 261 O PHE A 27 -4.182 -5.380 -1.295 1.00 0.00 O ATOM 262 CB PHE A 27 -4.779 -5.490 2.076 1.00 0.00 C ATOM 263 CG PHE A 27 -6.100 -6.104 1.680 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.277 -6.687 0.419 1.00 0.00 C ATOM 265 CD2 PHE A 27 -7.164 -6.075 2.591 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.518 -7.237 0.075 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.399 -6.626 2.249 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.580 -7.207 0.991 1.00 0.00 C ATOM 0 H PHE A 27 -2.447 -4.826 2.507 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.686 -6.795 0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.462 -5.899 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.905 -4.416 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.459 -6.712 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.027 -5.624 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.658 -7.685 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.215 -6.604 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.536 -7.632 0.724 1.00 0.00 H new ATOM 278 N ALA A 28 -3.954 -3.616 -0.007 1.00 0.00 N ATOM 279 CA ALA A 28 -4.207 -2.682 -1.131 1.00 0.00 C ATOM 280 C ALA A 28 -3.045 -2.710 -2.111 1.00 0.00 C ATOM 281 O ALA A 28 -3.235 -2.806 -3.305 1.00 0.00 O ATOM 282 CB ALA A 28 -4.358 -1.279 -0.566 1.00 0.00 C ATOM 0 H ALA A 28 -3.774 -3.168 0.891 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.114 -2.980 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.545 -0.577 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.195 -1.256 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.443 -0.996 -0.046 1.00 0.00 H new ATOM 288 N ILE A 29 -1.842 -2.620 -1.628 1.00 0.00 N ATOM 289 CA ILE A 29 -0.692 -2.639 -2.560 1.00 0.00 C ATOM 290 C ILE A 29 -0.770 -3.911 -3.396 1.00 0.00 C ATOM 291 O ILE A 29 -0.560 -3.900 -4.593 1.00 0.00 O ATOM 292 CB ILE A 29 0.623 -2.581 -1.771 1.00 0.00 C ATOM 293 CG1 ILE A 29 1.715 -2.026 -2.670 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.014 -3.967 -1.283 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.166 -0.778 -3.335 1.00 0.00 C ATOM 0 H ILE A 29 -1.608 -2.535 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.724 -1.771 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 29 0.491 -1.935 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.607 -1.791 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.007 -2.763 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.949 -3.906 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.230 -4.359 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.144 -4.631 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.925 -0.351 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.284 -1.036 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.894 -0.049 -2.572 1.00 0.00 H new ATOM 307 N ALA A 30 -1.103 -5.001 -2.776 1.00 0.00 N ATOM 308 CA ALA A 30 -1.240 -6.264 -3.543 1.00 0.00 C ATOM 309 C ALA A 30 -2.199 -5.975 -4.692 1.00 0.00 C ATOM 310 O ALA A 30 -2.003 -6.399 -5.816 1.00 0.00 O ATOM 311 CB ALA A 30 -1.818 -7.359 -2.644 1.00 0.00 C ATOM 0 H ALA A 30 -1.286 -5.074 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.274 -6.607 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.916 -8.283 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.152 -7.523 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.798 -7.051 -2.280 1.00 0.00 H new ATOM 317 N GLU A 31 -3.231 -5.221 -4.412 1.00 0.00 N ATOM 318 CA GLU A 31 -4.201 -4.863 -5.480 1.00 0.00 C ATOM 319 C GLU A 31 -3.479 -4.044 -6.548 1.00 0.00 C ATOM 320 O GLU A 31 -3.734 -4.181 -7.726 1.00 0.00 O ATOM 321 CB GLU A 31 -5.344 -4.040 -4.884 1.00 0.00 C ATOM 322 CG GLU A 31 -5.987 -4.816 -3.732 1.00 0.00 C ATOM 323 CD GLU A 31 -7.124 -5.684 -4.274 1.00 0.00 C ATOM 324 OE1 GLU A 31 -7.689 -5.318 -5.292 1.00 0.00 O ATOM 325 OE2 GLU A 31 -7.411 -6.701 -3.662 1.00 0.00 O ATOM 0 H GLU A 31 -3.440 -4.840 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.612 -5.769 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.968 -3.082 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.088 -3.823 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.242 -5.440 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.369 -4.124 -2.982 1.00 0.00 H new ATOM 332 N TYR A 32 -2.571 -3.201 -6.143 1.00 0.00 N ATOM 333 CA TYR A 32 -1.815 -2.380 -7.133 1.00 0.00 C ATOM 334 C TYR A 32 -1.164 -3.310 -8.156 1.00 0.00 C ATOM 335 O TYR A 32 -1.297 -3.130 -9.351 1.00 0.00 O ATOM 336 CB TYR A 32 -0.735 -1.590 -6.396 1.00 0.00 C ATOM 337 CG TYR A 32 -0.224 -0.445 -7.240 1.00 0.00 C ATOM 338 CD1 TYR A 32 -1.073 0.251 -8.112 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.118 -0.070 -7.131 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.574 1.309 -8.866 1.00 0.00 C ATOM 341 CE2 TYR A 32 1.615 0.986 -7.882 1.00 0.00 C ATOM 342 CZ TYR A 32 0.771 1.682 -8.754 1.00 0.00 C ATOM 343 OH TYR A 32 1.263 2.733 -9.501 1.00 0.00 O ATOM 0 H TYR A 32 -2.318 -3.044 -5.167 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.487 -1.691 -7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.138 -1.204 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.091 -2.252 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.111 -0.033 -8.198 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.772 -0.605 -6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.226 1.844 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.653 1.270 -7.793 1.00 0.00 H new ATOM 0 HH TYR A 32 2.214 2.859 -9.302 1.00 0.00 H new ATOM 353 N ASN A 33 -0.459 -4.308 -7.693 1.00 0.00 N ATOM 354 CA ASN A 33 0.201 -5.255 -8.632 1.00 0.00 C ATOM 355 C ASN A 33 -0.850 -5.890 -9.545 1.00 0.00 C ATOM 356 O ASN A 33 -0.693 -5.927 -10.749 1.00 0.00 O ATOM 357 CB ASN A 33 0.914 -6.350 -7.835 1.00 0.00 C ATOM 358 CG ASN A 33 1.633 -7.295 -8.799 1.00 0.00 C ATOM 359 OD1 ASN A 33 1.034 -8.205 -9.337 1.00 0.00 O ATOM 360 ND2 ASN A 33 2.904 -7.117 -9.041 1.00 0.00 N ATOM 0 H ASN A 33 -0.313 -4.507 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 33 0.928 -4.715 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.630 -5.904 -7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.194 -6.905 -7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.394 -7.742 -9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.407 -6.353 -8.589 1.00 0.00 H new ATOM 367 N ARG A 34 -1.920 -6.394 -8.988 1.00 0.00 N ATOM 368 CA ARG A 34 -2.968 -7.025 -9.842 1.00 0.00 C ATOM 369 C ARG A 34 -3.642 -5.951 -10.700 1.00 0.00 C ATOM 370 O ARG A 34 -4.339 -6.250 -11.647 1.00 0.00 O ATOM 371 CB ARG A 34 -4.011 -7.714 -8.958 1.00 0.00 C ATOM 372 CG ARG A 34 -3.307 -8.610 -7.938 1.00 0.00 C ATOM 373 CD ARG A 34 -4.206 -8.794 -6.714 1.00 0.00 C ATOM 374 NE ARG A 34 -4.237 -10.234 -6.333 1.00 0.00 N ATOM 375 CZ ARG A 34 -4.954 -11.078 -7.024 1.00 0.00 C ATOM 376 NH1 ARG A 34 -6.184 -10.783 -7.340 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.439 -12.216 -7.399 1.00 0.00 N ATOM 0 H ARG A 34 -2.112 -6.396 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.506 -7.768 -10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.617 -6.968 -8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.688 -8.307 -9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.080 -9.578 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.357 -8.165 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.834 -8.195 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.214 -8.443 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.697 -10.561 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.586 -9.893 -7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.744 -11.443 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.476 -12.446 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.999 -12.876 -7.939 1.00 0.00 H new ATOM 391 N ALA A 35 -3.446 -4.705 -10.370 1.00 0.00 N ATOM 392 CA ALA A 35 -4.083 -3.614 -11.163 1.00 0.00 C ATOM 393 C ALA A 35 -3.202 -3.241 -12.359 1.00 0.00 C ATOM 394 O ALA A 35 -3.636 -2.565 -13.271 1.00 0.00 O ATOM 395 CB ALA A 35 -4.278 -2.386 -10.271 1.00 0.00 C ATOM 0 H ALA A 35 -2.873 -4.394 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.048 -3.961 -11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.743 -1.587 -10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.919 -2.646 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.310 -2.049 -9.900 1.00 0.00 H new ATOM 401 N SER A 36 -1.969 -3.664 -12.363 1.00 0.00 N ATOM 402 CA SER A 36 -1.066 -3.323 -13.500 1.00 0.00 C ATOM 403 C SER A 36 -1.156 -4.402 -14.582 1.00 0.00 C ATOM 404 O SER A 36 -0.966 -4.131 -15.750 1.00 0.00 O ATOM 405 CB SER A 36 0.373 -3.248 -12.993 1.00 0.00 C ATOM 406 OG SER A 36 0.985 -4.522 -13.137 1.00 0.00 O ATOM 0 H SER A 36 -1.546 -4.231 -11.628 1.00 0.00 H new ATOM 0 HA SER A 36 -1.367 -2.363 -13.920 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.930 -2.498 -13.554 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.387 -2.940 -11.947 1.00 0.00 H new ATOM 0 HG SER A 36 0.599 -5.146 -12.487 1.00 0.00 H new ATOM 412 N ASN A 37 -1.425 -5.622 -14.195 1.00 0.00 N ATOM 413 CA ASN A 37 -1.513 -6.738 -15.185 1.00 0.00 C ATOM 414 C ASN A 37 -0.113 -7.292 -15.454 1.00 0.00 C ATOM 415 O ASN A 37 0.094 -8.487 -15.520 1.00 0.00 O ATOM 416 CB ASN A 37 -2.134 -6.240 -16.493 1.00 0.00 C ATOM 417 CG ASN A 37 -3.294 -5.292 -16.177 1.00 0.00 C ATOM 418 OD1 ASN A 37 -3.654 -5.116 -15.030 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.895 -4.668 -17.153 1.00 0.00 N ATOM 0 H ASN A 37 -1.589 -5.896 -13.226 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.145 -7.527 -14.776 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.383 -5.726 -17.092 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.490 -7.084 -17.084 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.667 -4.032 -16.953 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.593 -4.816 -18.116 1.00 0.00 H new ATOM 426 N ASP A 38 0.845 -6.428 -15.598 1.00 0.00 N ATOM 427 CA ASP A 38 2.235 -6.870 -15.848 1.00 0.00 C ATOM 428 C ASP A 38 2.798 -7.448 -14.535 1.00 0.00 C ATOM 429 O ASP A 38 2.087 -7.540 -13.554 1.00 0.00 O ATOM 430 CB ASP A 38 3.012 -5.630 -16.279 1.00 0.00 C ATOM 431 CG ASP A 38 4.454 -5.990 -16.635 1.00 0.00 C ATOM 432 OD1 ASP A 38 4.638 -6.789 -17.541 1.00 0.00 O ATOM 433 OD2 ASP A 38 5.351 -5.464 -15.999 1.00 0.00 O ATOM 0 H ASP A 38 0.720 -5.417 -15.552 1.00 0.00 H new ATOM 0 HA ASP A 38 2.302 -7.638 -16.618 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.524 -5.170 -17.139 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.004 -4.893 -15.476 1.00 0.00 H new ATOM 438 N LYS A 39 4.051 -7.842 -14.480 1.00 0.00 N ATOM 439 CA LYS A 39 4.580 -8.394 -13.208 1.00 0.00 C ATOM 440 C LYS A 39 5.353 -7.308 -12.471 1.00 0.00 C ATOM 441 O LYS A 39 4.792 -6.550 -11.708 1.00 0.00 O ATOM 442 CB LYS A 39 5.506 -9.573 -13.503 1.00 0.00 C ATOM 443 CG LYS A 39 4.685 -10.744 -14.049 1.00 0.00 C ATOM 444 CD LYS A 39 4.834 -11.949 -13.119 1.00 0.00 C ATOM 445 CE LYS A 39 5.254 -13.174 -13.931 1.00 0.00 C ATOM 446 NZ LYS A 39 6.502 -13.751 -13.354 1.00 0.00 N ATOM 0 H LYS A 39 4.715 -7.803 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 39 3.751 -8.737 -12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.266 -9.280 -14.227 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.029 -9.874 -12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.636 -10.460 -14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.023 -11.002 -15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.577 -11.738 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.892 -12.145 -12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.459 -13.919 -13.922 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.418 -12.895 -14.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.787 -14.584 -13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.260 -13.039 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.331 -14.032 -12.368 1.00 0.00 H new ATOM 460 N TYR A 40 6.635 -7.216 -12.711 1.00 0.00 N ATOM 461 CA TYR A 40 7.453 -6.181 -12.040 1.00 0.00 C ATOM 462 C TYR A 40 7.075 -6.127 -10.553 1.00 0.00 C ATOM 463 O TYR A 40 6.286 -6.922 -10.084 1.00 0.00 O ATOM 464 CB TYR A 40 7.208 -4.848 -12.769 1.00 0.00 C ATOM 465 CG TYR A 40 6.062 -4.082 -12.157 1.00 0.00 C ATOM 466 CD1 TYR A 40 6.280 -3.242 -11.059 1.00 0.00 C ATOM 467 CD2 TYR A 40 4.781 -4.193 -12.709 1.00 0.00 C ATOM 468 CE1 TYR A 40 5.215 -2.517 -10.512 1.00 0.00 C ATOM 469 CE2 TYR A 40 3.718 -3.466 -12.164 1.00 0.00 C ATOM 470 CZ TYR A 40 3.934 -2.629 -11.065 1.00 0.00 C ATOM 471 OH TYR A 40 2.884 -1.908 -10.532 1.00 0.00 O ATOM 0 H TYR A 40 7.149 -7.823 -13.350 1.00 0.00 H new ATOM 0 HA TYR A 40 8.519 -6.406 -12.086 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.113 -4.241 -12.732 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.996 -5.041 -13.821 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.269 -3.153 -10.634 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.613 -4.841 -13.557 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.382 -1.871 -9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.730 -3.551 -12.592 1.00 0.00 H new ATOM 0 HH TYR A 40 2.533 -2.374 -9.745 1.00 0.00 H new ATOM 481 N SER A 41 7.641 -5.240 -9.781 1.00 0.00 N ATOM 482 CA SER A 41 7.275 -5.227 -8.331 1.00 0.00 C ATOM 483 C SER A 41 6.921 -3.808 -7.930 1.00 0.00 C ATOM 484 O SER A 41 7.751 -2.943 -7.985 1.00 0.00 O ATOM 485 CB SER A 41 8.461 -5.716 -7.497 1.00 0.00 C ATOM 486 OG SER A 41 7.991 -6.554 -6.452 1.00 0.00 O ATOM 0 H SER A 41 8.322 -4.541 -10.077 1.00 0.00 H new ATOM 0 HA SER A 41 6.423 -5.885 -8.158 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.162 -6.262 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.002 -4.866 -7.081 1.00 0.00 H new ATOM 0 HG SER A 41 8.750 -6.869 -5.919 1.00 0.00 H new ATOM 492 N SER A 42 5.695 -3.551 -7.547 1.00 0.00 N ATOM 493 CA SER A 42 5.332 -2.149 -7.183 1.00 0.00 C ATOM 494 C SER A 42 5.234 -1.983 -5.654 1.00 0.00 C ATOM 495 O SER A 42 4.661 -2.809 -4.970 1.00 0.00 O ATOM 496 CB SER A 42 3.971 -1.793 -7.812 1.00 0.00 C ATOM 497 OG SER A 42 3.493 -2.910 -8.545 1.00 0.00 O ATOM 0 H SER A 42 4.944 -4.237 -7.472 1.00 0.00 H new ATOM 0 HA SER A 42 6.110 -1.485 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.257 -1.520 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.074 -0.929 -8.468 1.00 0.00 H new ATOM 0 HG SER A 42 3.837 -2.871 -9.462 1.00 0.00 H new ATOM 503 N ARG A 43 5.782 -0.912 -5.111 1.00 0.00 N ATOM 504 CA ARG A 43 5.703 -0.700 -3.646 1.00 0.00 C ATOM 505 C ARG A 43 5.615 0.802 -3.360 1.00 0.00 C ATOM 506 O ARG A 43 5.476 1.624 -4.257 1.00 0.00 O ATOM 507 CB ARG A 43 6.943 -1.303 -2.962 1.00 0.00 C ATOM 508 CG ARG A 43 8.105 -0.296 -2.946 1.00 0.00 C ATOM 509 CD ARG A 43 9.249 -0.833 -2.077 1.00 0.00 C ATOM 510 NE ARG A 43 9.213 -2.325 -2.045 1.00 0.00 N ATOM 511 CZ ARG A 43 9.674 -2.966 -1.007 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.357 -2.331 -0.094 1.00 0.00 N ATOM 513 NH2 ARG A 43 9.453 -4.248 -0.881 1.00 0.00 N ATOM 0 H ARG A 43 6.276 -0.185 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 43 4.815 -1.194 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.695 -1.594 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.248 -2.208 -3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.460 -0.121 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.761 0.663 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.206 -0.493 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.163 -0.438 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 43 8.828 -2.843 -2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.531 -1.331 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.716 -2.835 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.920 -4.746 -1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.813 -4.750 -0.070 1.00 0.00 H new ATOM 527 N VAL A 44 5.697 1.154 -2.112 1.00 0.00 N ATOM 528 CA VAL A 44 5.624 2.582 -1.716 1.00 0.00 C ATOM 529 C VAL A 44 6.866 3.336 -2.184 1.00 0.00 C ATOM 530 O VAL A 44 7.705 2.815 -2.892 1.00 0.00 O ATOM 531 CB VAL A 44 5.470 2.652 -0.197 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.805 2.973 0.479 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.446 3.727 0.131 1.00 0.00 C ATOM 0 H VAL A 44 5.813 0.501 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 44 4.765 3.058 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 44 5.137 1.684 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.665 3.016 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.531 2.196 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.172 3.935 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.321 3.793 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.790 4.687 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.491 3.473 -0.330 1.00 0.00 H new ATOM 543 N VAL A 45 6.962 4.572 -1.800 1.00 0.00 N ATOM 544 CA VAL A 45 8.108 5.412 -2.211 1.00 0.00 C ATOM 545 C VAL A 45 8.148 6.593 -1.243 1.00 0.00 C ATOM 546 O VAL A 45 9.035 6.723 -0.423 1.00 0.00 O ATOM 547 CB VAL A 45 7.873 5.933 -3.635 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.061 5.640 -4.515 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.704 5.243 -4.290 1.00 0.00 C ATOM 0 H VAL A 45 6.279 5.043 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 45 9.041 4.848 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 45 7.694 7.004 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.872 6.018 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.946 6.126 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.225 4.563 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.567 5.637 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.897 4.171 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.802 5.421 -3.705 1.00 0.00 H new ATOM 559 N ARG A 46 7.151 7.428 -1.324 1.00 0.00 N ATOM 560 CA ARG A 46 7.050 8.598 -0.408 1.00 0.00 C ATOM 561 C ARG A 46 5.666 8.573 0.256 1.00 0.00 C ATOM 562 O ARG A 46 4.760 9.280 -0.142 1.00 0.00 O ATOM 563 CB ARG A 46 7.220 9.894 -1.203 1.00 0.00 C ATOM 564 CG ARG A 46 8.671 10.020 -1.670 1.00 0.00 C ATOM 565 CD ARG A 46 9.067 11.497 -1.719 1.00 0.00 C ATOM 566 NE ARG A 46 10.187 11.743 -0.767 1.00 0.00 N ATOM 567 CZ ARG A 46 11.040 12.703 -0.998 1.00 0.00 C ATOM 568 NH1 ARG A 46 11.662 12.762 -2.144 1.00 0.00 N ATOM 569 NH2 ARG A 46 11.275 13.603 -0.082 1.00 0.00 N ATOM 0 H ARG A 46 6.389 7.348 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 46 7.831 8.549 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.549 9.897 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.950 10.750 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.330 9.478 -0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.787 9.569 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.368 11.770 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.212 12.122 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 46 10.287 11.161 0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.481 12.058 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.329 13.513 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.792 13.556 0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.942 14.353 -0.263 1.00 0.00 H new ATOM 583 N VAL A 47 5.500 7.754 1.261 1.00 0.00 N ATOM 584 CA VAL A 47 4.192 7.653 1.961 1.00 0.00 C ATOM 585 C VAL A 47 3.594 9.040 2.174 1.00 0.00 C ATOM 586 O VAL A 47 4.250 10.047 2.000 1.00 0.00 O ATOM 587 CB VAL A 47 4.420 6.950 3.288 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.296 7.273 4.264 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.482 5.440 3.057 1.00 0.00 C ATOM 0 H VAL A 47 6.229 7.143 1.630 1.00 0.00 H new ATOM 0 HA VAL A 47 3.485 7.082 1.359 1.00 0.00 H new ATOM 0 HB VAL A 47 5.361 7.297 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.476 6.761 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.261 8.349 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.345 6.941 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.646 4.933 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.543 5.100 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.302 5.209 2.377 1.00 0.00 H new ATOM 599 N ILE A 48 2.337 9.094 2.520 1.00 0.00 N ATOM 600 CA ILE A 48 1.679 10.402 2.709 1.00 0.00 C ATOM 601 C ILE A 48 0.671 10.271 3.838 1.00 0.00 C ATOM 602 O ILE A 48 0.683 11.008 4.804 1.00 0.00 O ATOM 603 CB ILE A 48 0.942 10.712 1.419 1.00 0.00 C ATOM 604 CG1 ILE A 48 1.926 11.218 0.366 1.00 0.00 C ATOM 605 CG2 ILE A 48 -0.141 11.770 1.661 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.318 11.016 -1.022 1.00 0.00 C ATOM 0 H ILE A 48 1.741 8.281 2.679 1.00 0.00 H new ATOM 0 HA ILE A 48 2.397 11.186 2.949 1.00 0.00 H new ATOM 0 HB ILE A 48 0.468 9.797 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.145 12.273 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.871 10.681 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.660 11.980 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.855 11.398 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.321 12.684 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.014 11.375 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.122 9.956 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.384 11.573 -1.095 1.00 0.00 H new ATOM 618 N SER A 49 -0.206 9.323 3.705 1.00 0.00 N ATOM 619 CA SER A 49 -1.241 9.109 4.753 1.00 0.00 C ATOM 620 C SER A 49 -1.255 7.637 5.147 1.00 0.00 C ATOM 621 O SER A 49 -1.654 6.784 4.383 1.00 0.00 O ATOM 622 CB SER A 49 -2.612 9.505 4.205 1.00 0.00 C ATOM 623 OG SER A 49 -3.453 9.903 5.278 1.00 0.00 O ATOM 0 H SER A 49 -0.253 8.682 2.913 1.00 0.00 H new ATOM 0 HA SER A 49 -1.012 9.720 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.508 10.320 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.058 8.666 3.671 1.00 0.00 H new ATOM 0 HG SER A 49 -4.332 10.159 4.927 1.00 0.00 H new ATOM 629 N ALA A 50 -0.815 7.332 6.331 1.00 0.00 N ATOM 630 CA ALA A 50 -0.794 5.914 6.774 1.00 0.00 C ATOM 631 C ALA A 50 -1.278 5.834 8.223 1.00 0.00 C ATOM 632 O ALA A 50 -0.583 6.238 9.133 1.00 0.00 O ATOM 633 CB ALA A 50 0.640 5.391 6.688 1.00 0.00 C ATOM 0 H ALA A 50 -0.468 8.005 7.014 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.445 5.314 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.668 4.350 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.992 5.461 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.284 5.988 7.333 1.00 0.00 H new ATOM 639 N LYS A 51 -2.464 5.330 8.461 1.00 0.00 N ATOM 640 CA LYS A 51 -2.942 5.265 9.878 1.00 0.00 C ATOM 641 C LYS A 51 -4.232 4.460 9.998 1.00 0.00 C ATOM 642 O LYS A 51 -4.866 4.100 9.025 1.00 0.00 O ATOM 643 CB LYS A 51 -3.189 6.685 10.390 1.00 0.00 C ATOM 644 CG LYS A 51 -4.197 7.387 9.479 1.00 0.00 C ATOM 645 CD LYS A 51 -4.066 8.903 9.643 1.00 0.00 C ATOM 646 CE LYS A 51 -3.655 9.527 8.310 1.00 0.00 C ATOM 647 NZ LYS A 51 -4.420 10.788 8.096 1.00 0.00 N ATOM 0 H LYS A 51 -3.108 4.969 7.757 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.175 4.770 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.566 6.654 11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.253 7.243 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.021 7.107 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.210 7.070 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.013 9.326 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.325 9.134 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.585 9.733 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.847 8.829 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.340 11.078 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.421 10.631 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.034 11.536 8.707 1.00 0.00 H new ATOM 661 N ARG A 52 -4.613 4.188 11.215 1.00 0.00 N ATOM 662 CA ARG A 52 -5.860 3.411 11.482 1.00 0.00 C ATOM 663 C ARG A 52 -6.854 4.298 12.240 1.00 0.00 C ATOM 664 O ARG A 52 -6.886 4.297 13.454 1.00 0.00 O ATOM 665 CB ARG A 52 -5.549 2.190 12.375 1.00 0.00 C ATOM 666 CG ARG A 52 -4.286 2.459 13.198 1.00 0.00 C ATOM 667 CD ARG A 52 -4.125 1.368 14.257 1.00 0.00 C ATOM 668 NE ARG A 52 -4.861 1.760 15.492 1.00 0.00 N ATOM 669 CZ ARG A 52 -4.791 1.013 16.559 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.699 0.347 16.820 1.00 0.00 N ATOM 671 NH2 ARG A 52 -5.813 0.930 17.366 1.00 0.00 N ATOM 0 H ARG A 52 -4.105 4.476 12.051 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.274 3.082 10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.390 1.989 13.038 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.410 1.302 11.758 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.412 2.480 12.547 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.351 3.437 13.675 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.508 0.420 13.879 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.069 1.218 14.482 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.420 2.613 15.503 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.900 0.411 16.189 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.645 -0.237 17.655 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.667 1.449 17.163 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.758 0.346 18.200 1.00 0.00 H new ATOM 685 N GLN A 53 -7.675 5.041 11.551 1.00 0.00 N ATOM 686 CA GLN A 53 -8.660 5.896 12.272 1.00 0.00 C ATOM 687 C GLN A 53 -9.477 4.999 13.207 1.00 0.00 C ATOM 688 O GLN A 53 -9.499 3.793 13.051 1.00 0.00 O ATOM 689 CB GLN A 53 -9.584 6.585 11.261 1.00 0.00 C ATOM 690 CG GLN A 53 -10.808 7.148 11.986 1.00 0.00 C ATOM 691 CD GLN A 53 -11.533 8.134 11.070 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.156 8.313 9.929 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.568 8.789 11.524 1.00 0.00 N ATOM 0 H GLN A 53 -7.708 5.094 10.533 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.146 6.665 12.849 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.049 7.387 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.897 5.875 10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.480 6.338 12.271 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.502 7.647 12.906 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.886 8.640 12.482 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.058 9.449 10.921 1.00 0.00 H new ATOM 702 N LEU A 54 -10.131 5.560 14.191 1.00 0.00 N ATOM 703 CA LEU A 54 -10.910 4.701 15.131 1.00 0.00 C ATOM 704 C LEU A 54 -12.363 5.176 15.243 1.00 0.00 C ATOM 705 O LEU A 54 -12.660 6.162 15.885 1.00 0.00 O ATOM 706 CB LEU A 54 -10.257 4.754 16.515 1.00 0.00 C ATOM 707 CG LEU A 54 -10.938 3.744 17.440 1.00 0.00 C ATOM 708 CD1 LEU A 54 -10.032 2.525 17.620 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.196 4.392 18.802 1.00 0.00 C ATOM 0 H LEU A 54 -10.160 6.561 14.383 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.910 3.681 14.746 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.193 4.531 16.436 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.342 5.758 16.930 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.885 3.431 17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.517 1.805 18.279 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.848 2.062 16.650 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.084 2.838 18.059 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.681 3.672 19.461 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.249 4.705 19.241 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.842 5.261 18.675 1.00 0.00 H new ATOM 721 N VAL A 55 -13.270 4.454 14.642 1.00 0.00 N ATOM 722 CA VAL A 55 -14.715 4.821 14.725 1.00 0.00 C ATOM 723 C VAL A 55 -15.505 3.539 15.029 1.00 0.00 C ATOM 724 O VAL A 55 -16.368 3.150 14.269 1.00 0.00 O ATOM 725 CB VAL A 55 -15.169 5.393 13.394 1.00 0.00 C ATOM 726 CG1 VAL A 55 -16.688 5.573 13.402 1.00 0.00 C ATOM 727 CG2 VAL A 55 -14.491 6.743 13.158 1.00 0.00 C ATOM 0 H VAL A 55 -13.071 3.618 14.092 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.879 5.566 15.503 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.893 4.707 12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.011 5.984 12.445 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.168 4.608 13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.969 6.256 14.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.818 7.152 12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.762 7.431 13.959 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.409 6.609 13.145 1.00 0.00 H new ATOM 737 N SER A 56 -15.163 2.853 16.105 1.00 0.00 N ATOM 738 CA SER A 56 -15.818 1.553 16.446 1.00 0.00 C ATOM 739 C SER A 56 -15.000 0.482 15.750 1.00 0.00 C ATOM 740 O SER A 56 -14.484 -0.433 16.353 1.00 0.00 O ATOM 741 CB SER A 56 -17.265 1.485 15.950 1.00 0.00 C ATOM 742 OG SER A 56 -17.284 1.075 14.592 1.00 0.00 O ATOM 0 H SER A 56 -14.446 3.150 16.766 1.00 0.00 H new ATOM 0 HA SER A 56 -15.853 1.426 17.528 1.00 0.00 H new ATOM 0 HB2 SER A 56 -17.836 0.785 16.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 -17.741 2.460 16.053 1.00 0.00 H new ATOM 0 HG SER A 56 -17.166 1.857 14.013 1.00 0.00 H new ATOM 748 N GLY A 57 -14.840 0.648 14.478 1.00 0.00 N ATOM 749 CA GLY A 57 -14.011 -0.283 13.680 1.00 0.00 C ATOM 750 C GLY A 57 -12.814 0.540 13.185 1.00 0.00 C ATOM 751 O GLY A 57 -12.912 1.753 13.093 1.00 0.00 O ATOM 0 H GLY A 57 -15.259 1.409 13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.681 -1.128 14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.577 -0.691 12.843 1.00 0.00 H new ATOM 755 N ILE A 58 -11.683 -0.048 12.884 1.00 0.00 N ATOM 756 CA ILE A 58 -10.557 0.806 12.429 1.00 0.00 C ATOM 757 C ILE A 58 -10.704 1.139 10.957 1.00 0.00 C ATOM 758 O ILE A 58 -11.273 0.398 10.186 1.00 0.00 O ATOM 759 CB ILE A 58 -9.229 0.081 12.610 1.00 0.00 C ATOM 760 CG1 ILE A 58 -8.917 -0.024 14.086 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.112 0.861 11.920 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.213 -1.443 14.511 1.00 0.00 C ATOM 0 H ILE A 58 -11.498 -1.050 12.932 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.575 1.717 13.027 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.301 -0.914 12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.873 0.224 14.276 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.521 0.681 14.657 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.166 0.337 12.054 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.332 0.947 10.856 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.040 1.857 12.357 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.999 -1.557 15.574 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.264 -1.666 14.327 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.590 -2.131 13.940 1.00 0.00 H new ATOM 774 N LYS A 59 -10.123 2.220 10.556 1.00 0.00 N ATOM 775 CA LYS A 59 -10.135 2.578 9.125 1.00 0.00 C ATOM 776 C LYS A 59 -8.681 2.659 8.733 1.00 0.00 C ATOM 777 O LYS A 59 -7.891 3.335 9.351 1.00 0.00 O ATOM 778 CB LYS A 59 -10.821 3.913 8.876 1.00 0.00 C ATOM 779 CG LYS A 59 -11.759 4.243 10.041 1.00 0.00 C ATOM 780 CD LYS A 59 -12.741 5.335 9.613 1.00 0.00 C ATOM 781 CE LYS A 59 -14.064 5.150 10.358 1.00 0.00 C ATOM 782 NZ LYS A 59 -15.154 4.886 9.376 1.00 0.00 N ATOM 0 H LYS A 59 -9.635 2.878 11.164 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.691 1.844 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.075 4.700 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.385 3.874 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.303 3.350 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.182 4.576 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.324 6.319 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.907 5.288 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.985 4.321 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.293 6.042 10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.054 4.760 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.234 5.690 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.935 4.023 8.838 1.00 0.00 H new ATOM 796 N TYR A 60 -8.326 1.944 7.740 1.00 0.00 N ATOM 797 CA TYR A 60 -6.906 1.912 7.311 1.00 0.00 C ATOM 798 C TYR A 60 -6.697 2.900 6.182 1.00 0.00 C ATOM 799 O TYR A 60 -6.834 2.565 5.025 1.00 0.00 O ATOM 800 CB TYR A 60 -6.556 0.509 6.829 1.00 0.00 C ATOM 801 CG TYR A 60 -6.148 -0.388 7.993 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.252 0.053 9.326 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.657 -1.680 7.734 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.867 -0.792 10.375 1.00 0.00 C ATOM 805 CE2 TYR A 60 -5.275 -2.516 8.786 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.377 -2.072 10.105 1.00 0.00 C ATOM 807 OH TYR A 60 -4.997 -2.899 11.143 1.00 0.00 O ATOM 0 H TYR A 60 -8.958 1.365 7.187 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.265 2.180 8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.413 0.074 6.314 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.743 0.563 6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.628 1.042 9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.575 -2.028 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.949 -0.452 11.397 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.900 -3.507 8.578 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.457 -3.761 11.060 1.00 0.00 H new ATOM 817 N ILE A 61 -6.349 4.113 6.490 1.00 0.00 N ATOM 818 CA ILE A 61 -6.132 5.083 5.405 1.00 0.00 C ATOM 819 C ILE A 61 -4.680 4.985 4.980 1.00 0.00 C ATOM 820 O ILE A 61 -3.776 4.965 5.789 1.00 0.00 O ATOM 821 CB ILE A 61 -6.404 6.492 5.885 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.338 6.474 7.100 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.045 7.305 4.759 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.551 5.590 6.800 1.00 0.00 C ATOM 0 H ILE A 61 -6.208 4.466 7.436 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.806 4.861 4.577 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.459 6.950 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.807 6.097 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.663 7.487 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.240 8.319 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.369 7.339 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.983 6.837 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.215 5.578 7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.086 5.987 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.217 4.575 6.584 1.00 0.00 H new ATOM 836 N LEU A 62 -4.463 4.878 3.726 1.00 0.00 N ATOM 837 CA LEU A 62 -3.119 4.729 3.203 1.00 0.00 C ATOM 838 C LEU A 62 -2.945 5.651 2.010 1.00 0.00 C ATOM 839 O LEU A 62 -3.829 5.809 1.200 1.00 0.00 O ATOM 840 CB LEU A 62 -3.061 3.318 2.705 1.00 0.00 C ATOM 841 CG LEU A 62 -1.666 2.728 2.769 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.704 3.652 2.049 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.256 2.538 4.222 1.00 0.00 C ATOM 0 H LEU A 62 -5.195 4.889 3.016 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.358 4.957 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.739 2.701 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.417 3.286 1.675 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.648 1.754 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.302 3.234 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.010 3.757 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.711 4.630 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.253 2.114 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.264 3.502 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.957 1.862 4.712 1.00 0.00 H new ATOM 855 N GLN A 63 -1.807 6.208 1.862 1.00 0.00 N ATOM 856 CA GLN A 63 -1.550 7.049 0.688 1.00 0.00 C ATOM 857 C GLN A 63 -0.086 6.986 0.424 1.00 0.00 C ATOM 858 O GLN A 63 0.724 6.991 1.327 1.00 0.00 O ATOM 859 CB GLN A 63 -1.902 8.478 0.907 1.00 0.00 C ATOM 860 CG GLN A 63 -3.370 8.725 0.557 1.00 0.00 C ATOM 861 CD GLN A 63 -4.078 9.406 1.730 1.00 0.00 C ATOM 862 OE1 GLN A 63 -4.766 8.761 2.496 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.938 10.692 1.899 1.00 0.00 N ATOM 0 H GLN A 63 -1.026 6.119 2.512 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.161 6.680 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.719 8.749 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.263 9.114 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.440 9.350 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.861 7.780 0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.360 11.231 1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.407 11.158 2.676 1.00 0.00 H new ATOM 872 N VAL A 64 0.247 6.949 -0.797 1.00 0.00 N ATOM 873 CA VAL A 64 1.683 6.880 -1.174 1.00 0.00 C ATOM 874 C VAL A 64 1.847 7.132 -2.668 1.00 0.00 C ATOM 875 O VAL A 64 1.105 6.612 -3.474 1.00 0.00 O ATOM 876 CB VAL A 64 2.278 5.467 -0.864 1.00 0.00 C ATOM 877 CG1 VAL A 64 1.819 4.933 0.497 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.843 4.479 -1.938 1.00 0.00 C ATOM 0 H VAL A 64 -0.407 6.963 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 64 2.208 7.639 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 64 3.363 5.573 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.257 3.950 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.141 5.616 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.732 4.853 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.260 3.496 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.755 4.416 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.203 4.816 -2.910 1.00 0.00 H new ATOM 888 N GLU A 65 2.850 7.873 -3.040 1.00 0.00 N ATOM 889 CA GLU A 65 3.117 8.088 -4.485 1.00 0.00 C ATOM 890 C GLU A 65 3.847 6.836 -4.958 1.00 0.00 C ATOM 891 O GLU A 65 5.037 6.842 -5.139 1.00 0.00 O ATOM 892 CB GLU A 65 4.002 9.322 -4.678 1.00 0.00 C ATOM 893 CG GLU A 65 3.272 10.561 -4.153 1.00 0.00 C ATOM 894 CD GLU A 65 4.269 11.483 -3.450 1.00 0.00 C ATOM 895 OE1 GLU A 65 4.851 11.054 -2.467 1.00 0.00 O ATOM 896 OE2 GLU A 65 4.434 12.602 -3.907 1.00 0.00 O ATOM 0 H GLU A 65 3.497 8.339 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 65 2.198 8.255 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.946 9.192 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.243 9.449 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.791 11.089 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.484 10.265 -3.461 1.00 0.00 H new ATOM 903 N ILE A 66 3.121 5.759 -5.112 1.00 0.00 N ATOM 904 CA ILE A 66 3.729 4.446 -5.516 1.00 0.00 C ATOM 905 C ILE A 66 4.809 4.658 -6.561 1.00 0.00 C ATOM 906 O ILE A 66 4.849 5.645 -7.272 1.00 0.00 O ATOM 907 CB ILE A 66 2.656 3.510 -6.126 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.222 3.985 -5.850 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.796 2.094 -5.568 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.838 3.658 -4.409 1.00 0.00 C ATOM 0 H ILE A 66 2.111 5.730 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 66 4.154 3.995 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 66 2.827 3.525 -7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.145 5.059 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.530 3.501 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.033 1.452 -6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.784 1.703 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.671 2.115 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.180 3.997 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.897 2.581 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.522 4.162 -3.727 1.00 0.00 H new ATOM 922 N GLY A 67 5.672 3.695 -6.646 1.00 0.00 N ATOM 923 CA GLY A 67 6.781 3.718 -7.609 1.00 0.00 C ATOM 924 C GLY A 67 7.406 2.323 -7.529 1.00 0.00 C ATOM 925 O GLY A 67 7.120 1.591 -6.587 1.00 0.00 O ATOM 0 H GLY A 67 5.647 2.861 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.424 3.933 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.507 4.491 -7.356 1.00 0.00 H new ATOM 929 N ARG A 68 8.280 1.924 -8.427 1.00 0.00 N ATOM 930 CA ARG A 68 8.878 0.579 -8.231 1.00 0.00 C ATOM 931 C ARG A 68 9.678 0.062 -9.391 1.00 0.00 C ATOM 932 O ARG A 68 9.988 0.751 -10.326 1.00 0.00 O ATOM 933 CB ARG A 68 7.835 -0.422 -7.926 1.00 0.00 C ATOM 934 CG ARG A 68 8.121 -1.005 -6.508 1.00 0.00 C ATOM 935 CD ARG A 68 9.516 -1.648 -6.429 1.00 0.00 C ATOM 936 NE ARG A 68 9.874 -1.935 -5.013 1.00 0.00 N ATOM 937 CZ ARG A 68 11.060 -2.399 -4.722 1.00 0.00 C ATOM 938 NH1 ARG A 68 11.424 -3.574 -5.161 1.00 0.00 N ATOM 939 NH2 ARG A 68 11.883 -1.691 -3.999 1.00 0.00 N ATOM 0 H ARG A 68 8.588 2.448 -9.246 1.00 0.00 H new ATOM 0 HA ARG A 68 9.566 0.718 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.847 0.037 -7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.840 -1.217 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.044 -0.211 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.363 -1.748 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.532 -2.571 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.257 -0.981 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 68 9.194 -1.770 -4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.783 -4.127 -5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.349 -3.939 -4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.601 -0.772 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.808 -2.057 -3.774 1.00 0.00 H new ATOM 953 N THR A 69 9.992 -1.200 -9.277 1.00 0.00 N ATOM 954 CA THR A 69 10.801 -1.922 -10.284 1.00 0.00 C ATOM 955 C THR A 69 9.961 -2.099 -11.526 1.00 0.00 C ATOM 956 O THR A 69 9.177 -3.018 -11.638 1.00 0.00 O ATOM 957 CB THR A 69 11.266 -3.290 -9.741 1.00 0.00 C ATOM 958 OG1 THR A 69 11.597 -4.135 -10.835 1.00 0.00 O ATOM 959 CG2 THR A 69 10.169 -3.958 -8.901 1.00 0.00 C ATOM 0 H THR A 69 9.704 -1.779 -8.488 1.00 0.00 H new ATOM 0 HA THR A 69 11.696 -1.346 -10.518 1.00 0.00 H new ATOM 0 HB THR A 69 12.136 -3.131 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.895 -5.006 -10.498 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.527 -4.919 -8.533 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.917 -3.317 -8.056 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.283 -4.112 -9.516 1.00 0.00 H new ATOM 967 N THR A 70 10.117 -1.198 -12.441 1.00 0.00 N ATOM 968 CA THR A 70 9.330 -1.249 -13.706 1.00 0.00 C ATOM 969 C THR A 70 9.871 -2.367 -14.580 1.00 0.00 C ATOM 970 O THR A 70 9.153 -3.249 -15.006 1.00 0.00 O ATOM 971 CB THR A 70 9.431 0.100 -14.436 1.00 0.00 C ATOM 972 OG1 THR A 70 8.671 0.050 -15.633 1.00 0.00 O ATOM 973 CG2 THR A 70 10.885 0.458 -14.771 1.00 0.00 C ATOM 0 H THR A 70 10.765 -0.413 -12.372 1.00 0.00 H new ATOM 0 HA THR A 70 8.281 -1.443 -13.483 1.00 0.00 H new ATOM 0 HB THR A 70 9.039 0.870 -13.771 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.735 0.911 -16.097 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.914 1.418 -15.286 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.465 0.523 -13.850 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.310 -0.312 -15.415 1.00 0.00 H new ATOM 981 N CYS A 71 11.138 -2.345 -14.827 1.00 0.00 N ATOM 982 CA CYS A 71 11.753 -3.417 -15.653 1.00 0.00 C ATOM 983 C CYS A 71 11.257 -4.778 -15.135 1.00 0.00 C ATOM 984 O CYS A 71 11.635 -5.186 -14.054 1.00 0.00 O ATOM 985 CB CYS A 71 13.273 -3.344 -15.513 1.00 0.00 C ATOM 986 SG CYS A 71 14.043 -4.612 -16.552 1.00 0.00 S ATOM 0 H CYS A 71 11.784 -1.629 -14.493 1.00 0.00 H new ATOM 0 HA CYS A 71 11.478 -3.294 -16.700 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.628 -2.356 -15.805 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.559 -3.490 -14.472 1.00 0.00 H new ATOM 991 N PRO A 72 10.422 -5.442 -15.898 1.00 0.00 N ATOM 992 CA PRO A 72 9.858 -6.772 -15.504 1.00 0.00 C ATOM 993 C PRO A 72 10.904 -7.879 -15.717 1.00 0.00 C ATOM 994 O PRO A 72 12.046 -7.602 -16.022 1.00 0.00 O ATOM 995 CB PRO A 72 8.667 -6.936 -16.442 1.00 0.00 C ATOM 996 CG PRO A 72 8.935 -6.062 -17.659 1.00 0.00 C ATOM 997 CD PRO A 72 9.932 -4.978 -17.240 1.00 0.00 C ATOM 0 HA PRO A 72 9.573 -6.835 -14.454 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.548 -7.979 -16.735 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.743 -6.636 -15.948 1.00 0.00 H new ATOM 0 HG2 PRO A 72 9.339 -6.658 -18.477 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.010 -5.613 -18.019 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.750 -4.888 -17.955 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.456 -4.000 -17.176 1.00 0.00 H new ATOM 1005 N LYS A 73 10.539 -9.131 -15.559 1.00 0.00 N ATOM 1006 CA LYS A 73 11.538 -10.219 -15.754 1.00 0.00 C ATOM 1007 C LYS A 73 11.402 -10.799 -17.165 1.00 0.00 C ATOM 1008 O LYS A 73 12.279 -10.641 -17.991 1.00 0.00 O ATOM 1009 CB LYS A 73 11.296 -11.323 -14.723 1.00 0.00 C ATOM 1010 CG LYS A 73 12.018 -10.975 -13.421 1.00 0.00 C ATOM 1011 CD LYS A 73 11.441 -11.807 -12.275 1.00 0.00 C ATOM 1012 CE LYS A 73 11.780 -13.283 -12.495 1.00 0.00 C ATOM 1013 NZ LYS A 73 10.728 -14.134 -11.869 1.00 0.00 N ATOM 0 H LYS A 73 9.600 -9.439 -15.306 1.00 0.00 H new ATOM 0 HA LYS A 73 12.542 -9.814 -15.627 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.227 -11.435 -14.539 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.656 -12.278 -15.106 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.086 -11.169 -13.523 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.906 -9.913 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.849 -11.467 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.360 -11.675 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.848 -13.496 -13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.753 -13.512 -12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.958 -15.137 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.684 -13.937 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.807 -13.922 -12.302 1.00 0.00 H new ATOM 1027 N SER A 74 10.312 -11.471 -17.448 1.00 0.00 N ATOM 1028 CA SER A 74 10.127 -12.063 -18.806 1.00 0.00 C ATOM 1029 C SER A 74 10.934 -13.364 -18.913 1.00 0.00 C ATOM 1030 O SER A 74 10.382 -14.445 -18.885 1.00 0.00 O ATOM 1031 CB SER A 74 10.605 -11.073 -19.871 1.00 0.00 C ATOM 1032 OG SER A 74 9.736 -11.127 -20.993 1.00 0.00 O ATOM 0 H SER A 74 9.544 -11.634 -16.796 1.00 0.00 H new ATOM 0 HA SER A 74 9.070 -12.278 -18.964 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.625 -10.063 -19.461 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.624 -11.313 -20.175 1.00 0.00 H new ATOM 0 HG SER A 74 10.041 -10.492 -21.674 1.00 0.00 H new ATOM 1038 N SER A 75 12.235 -13.273 -19.036 1.00 0.00 N ATOM 1039 CA SER A 75 13.056 -14.512 -19.145 1.00 0.00 C ATOM 1040 C SER A 75 13.822 -14.738 -17.838 1.00 0.00 C ATOM 1041 O SER A 75 14.952 -15.186 -17.841 1.00 0.00 O ATOM 1042 CB SER A 75 14.051 -14.363 -20.298 1.00 0.00 C ATOM 1043 OG SER A 75 13.888 -13.089 -20.903 1.00 0.00 O ATOM 0 H SER A 75 12.759 -12.398 -19.065 1.00 0.00 H new ATOM 0 HA SER A 75 12.402 -15.364 -19.334 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.071 -14.474 -19.929 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.891 -15.150 -21.035 1.00 0.00 H new ATOM 0 HG SER A 75 14.526 -12.993 -21.640 1.00 0.00 H new ATOM 1049 N GLY A 76 13.216 -14.436 -16.720 1.00 0.00 N ATOM 1050 CA GLY A 76 13.913 -14.638 -15.418 1.00 0.00 C ATOM 1051 C GLY A 76 15.359 -14.146 -15.528 1.00 0.00 C ATOM 1052 O GLY A 76 16.266 -14.916 -15.780 1.00 0.00 O ATOM 0 H GLY A 76 12.271 -14.059 -16.653 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.393 -14.096 -14.628 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.897 -15.693 -15.145 1.00 0.00 H new ATOM 1056 N ASP A 77 15.583 -12.874 -15.339 1.00 0.00 N ATOM 1057 CA ASP A 77 16.972 -12.342 -15.435 1.00 0.00 C ATOM 1058 C ASP A 77 17.664 -12.468 -14.076 1.00 0.00 C ATOM 1059 O ASP A 77 17.347 -13.336 -13.285 1.00 0.00 O ATOM 1060 CB ASP A 77 16.926 -10.870 -15.848 1.00 0.00 C ATOM 1061 CG ASP A 77 17.992 -10.604 -16.913 1.00 0.00 C ATOM 1062 OD1 ASP A 77 19.163 -10.734 -16.596 1.00 0.00 O ATOM 1063 OD2 ASP A 77 17.619 -10.280 -18.029 1.00 0.00 O ATOM 0 H ASP A 77 14.866 -12.182 -15.123 1.00 0.00 H new ATOM 0 HA ASP A 77 17.528 -12.912 -16.179 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.939 -10.621 -16.237 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.097 -10.233 -14.980 1.00 0.00 H new ATOM 1068 N LEU A 78 18.606 -11.608 -13.798 1.00 0.00 N ATOM 1069 CA LEU A 78 19.318 -11.679 -12.490 1.00 0.00 C ATOM 1070 C LEU A 78 19.568 -10.260 -11.968 1.00 0.00 C ATOM 1071 O LEU A 78 18.967 -9.831 -11.004 1.00 0.00 O ATOM 1072 CB LEU A 78 20.658 -12.394 -12.677 1.00 0.00 C ATOM 1073 CG LEU A 78 20.576 -13.797 -12.072 1.00 0.00 C ATOM 1074 CD1 LEU A 78 20.718 -14.838 -13.182 1.00 0.00 C ATOM 1075 CD2 LEU A 78 21.702 -13.980 -11.053 1.00 0.00 C ATOM 0 H LEU A 78 18.913 -10.860 -14.420 1.00 0.00 H new ATOM 0 HA LEU A 78 18.708 -12.229 -11.774 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.904 -12.457 -13.737 1.00 0.00 H new ATOM 0 HB3 LEU A 78 21.456 -11.826 -12.198 1.00 0.00 H new ATOM 0 HG LEU A 78 19.614 -13.924 -11.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 20.660 -15.838 -12.752 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.915 -14.708 -13.908 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.680 -14.712 -13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.644 -14.979 -10.622 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.665 -13.854 -11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 78 21.601 -13.237 -10.262 1.00 0.00 H new ATOM 1087 N GLN A 79 20.448 -9.523 -12.599 1.00 0.00 N ATOM 1088 CA GLN A 79 20.726 -8.136 -12.132 1.00 0.00 C ATOM 1089 C GLN A 79 20.465 -7.154 -13.277 1.00 0.00 C ATOM 1090 O GLN A 79 21.028 -7.270 -14.347 1.00 0.00 O ATOM 1091 CB GLN A 79 22.186 -8.027 -11.690 1.00 0.00 C ATOM 1092 CG GLN A 79 22.262 -7.275 -10.360 1.00 0.00 C ATOM 1093 CD GLN A 79 22.402 -8.277 -9.213 1.00 0.00 C ATOM 1094 OE1 GLN A 79 23.310 -8.180 -8.412 1.00 0.00 O ATOM 1095 NE2 GLN A 79 21.534 -9.245 -9.100 1.00 0.00 N ATOM 0 H GLN A 79 20.983 -9.823 -13.414 1.00 0.00 H new ATOM 0 HA GLN A 79 20.075 -7.898 -11.291 1.00 0.00 H new ATOM 0 HB2 GLN A 79 22.620 -9.021 -11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 79 22.769 -7.505 -12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 79 23.111 -6.591 -10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.366 -6.670 -10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.771 -9.327 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 79 21.618 -9.919 -8.339 1.00 0.00 H new ATOM 1104 N SER A 80 19.614 -6.190 -13.062 1.00 0.00 N ATOM 1105 CA SER A 80 19.317 -5.204 -14.140 1.00 0.00 C ATOM 1106 C SER A 80 18.035 -4.450 -13.797 1.00 0.00 C ATOM 1107 O SER A 80 18.063 -3.335 -13.315 1.00 0.00 O ATOM 1108 CB SER A 80 19.134 -5.941 -15.467 1.00 0.00 C ATOM 1109 OG SER A 80 18.213 -5.230 -16.281 1.00 0.00 O ATOM 0 H SER A 80 19.111 -6.042 -12.187 1.00 0.00 H new ATOM 0 HA SER A 80 20.143 -4.498 -14.227 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.092 -6.033 -15.979 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.770 -6.952 -15.286 1.00 0.00 H new ATOM 0 HG SER A 80 18.097 -5.701 -17.132 1.00 0.00 H new ATOM 1115 N CYS A 81 16.917 -5.058 -14.048 1.00 0.00 N ATOM 1116 CA CYS A 81 15.611 -4.403 -13.750 1.00 0.00 C ATOM 1117 C CYS A 81 15.693 -3.672 -12.408 1.00 0.00 C ATOM 1118 O CYS A 81 16.195 -4.201 -11.436 1.00 0.00 O ATOM 1119 CB CYS A 81 14.516 -5.470 -13.681 1.00 0.00 C ATOM 1120 SG CYS A 81 14.282 -6.198 -15.322 1.00 0.00 S ATOM 0 H CYS A 81 16.846 -5.992 -14.452 1.00 0.00 H new ATOM 0 HA CYS A 81 15.378 -3.685 -14.537 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.791 -6.243 -12.964 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.583 -5.028 -13.331 1.00 0.00 H new ATOM 1125 N GLU A 82 15.212 -2.459 -12.342 1.00 0.00 N ATOM 1126 CA GLU A 82 15.278 -1.709 -11.058 1.00 0.00 C ATOM 1127 C GLU A 82 14.024 -0.851 -10.878 1.00 0.00 C ATOM 1128 O GLU A 82 13.156 -0.793 -11.741 1.00 0.00 O ATOM 1129 CB GLU A 82 16.512 -0.805 -11.064 1.00 0.00 C ATOM 1130 CG GLU A 82 17.334 -1.057 -9.798 1.00 0.00 C ATOM 1131 CD GLU A 82 18.500 -1.992 -10.126 1.00 0.00 C ATOM 1132 OE1 GLU A 82 18.279 -2.952 -10.846 1.00 0.00 O ATOM 1133 OE2 GLU A 82 19.593 -1.734 -9.648 1.00 0.00 O ATOM 0 H GLU A 82 14.779 -1.959 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 82 15.341 -2.421 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.117 -1.003 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.210 0.241 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.710 -0.114 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.705 -1.499 -9.025 1.00 0.00 H new ATOM 1140 N PHE A 83 13.930 -0.200 -9.742 1.00 0.00 N ATOM 1141 CA PHE A 83 12.752 0.661 -9.449 1.00 0.00 C ATOM 1142 C PHE A 83 12.345 1.430 -10.730 1.00 0.00 C ATOM 1143 O PHE A 83 11.746 0.864 -11.602 1.00 0.00 O ATOM 1144 CB PHE A 83 13.071 1.596 -8.283 1.00 0.00 C ATOM 1145 CG PHE A 83 11.866 1.706 -7.355 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.656 0.764 -6.332 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.974 2.769 -7.502 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.550 0.889 -5.467 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.883 2.900 -6.638 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.661 1.967 -5.621 1.00 0.00 C ATOM 0 H PHE A 83 14.630 -0.233 -9.001 1.00 0.00 H new ATOM 0 HA PHE A 83 11.901 0.050 -9.148 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.932 1.220 -7.731 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.340 2.582 -8.661 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.345 -0.059 -6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.127 3.494 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.386 0.159 -4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.204 3.731 -6.758 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.814 2.073 -4.959 1.00 0.00 H new ATOM 1160 N HIS A 84 12.623 2.693 -10.905 1.00 0.00 N ATOM 1161 CA HIS A 84 12.149 3.308 -12.179 1.00 0.00 C ATOM 1162 C HIS A 84 13.170 4.289 -12.745 1.00 0.00 C ATOM 1163 O HIS A 84 12.893 5.451 -12.955 1.00 0.00 O ATOM 1164 CB HIS A 84 10.822 4.015 -11.920 1.00 0.00 C ATOM 1165 CG HIS A 84 10.908 4.689 -10.577 1.00 0.00 C ATOM 1166 ND1 HIS A 84 12.125 5.078 -10.026 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.960 4.998 -9.638 1.00 0.00 C ATOM 1168 CE1 HIS A 84 11.877 5.586 -8.806 1.00 0.00 C ATOM 1169 NE2 HIS A 84 10.574 5.562 -8.524 1.00 0.00 N ATOM 0 H HIS A 84 13.130 3.300 -10.261 1.00 0.00 H new ATOM 0 HA HIS A 84 12.016 2.520 -12.920 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.622 4.748 -12.702 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.000 3.300 -11.935 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.899 4.830 -9.746 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.637 5.965 -8.139 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.122 5.889 -7.670 1.00 0.00 H new ATOM 1177 N ASP A 85 14.332 3.805 -13.040 1.00 0.00 N ATOM 1178 CA ASP A 85 15.379 4.671 -13.647 1.00 0.00 C ATOM 1179 C ASP A 85 15.795 5.813 -12.701 1.00 0.00 C ATOM 1180 O ASP A 85 16.056 6.916 -13.141 1.00 0.00 O ATOM 1181 CB ASP A 85 14.836 5.272 -14.944 1.00 0.00 C ATOM 1182 CG ASP A 85 15.485 4.572 -16.140 1.00 0.00 C ATOM 1183 OD1 ASP A 85 15.954 3.459 -15.967 1.00 0.00 O ATOM 1184 OD2 ASP A 85 15.502 5.161 -17.209 1.00 0.00 O ATOM 0 H ASP A 85 14.611 2.836 -12.887 1.00 0.00 H new ATOM 0 HA ASP A 85 16.257 4.055 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.753 5.157 -14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.045 6.341 -14.977 1.00 0.00 H new ATOM 1189 N GLU A 86 15.887 5.569 -11.419 1.00 0.00 N ATOM 1190 CA GLU A 86 16.319 6.663 -10.483 1.00 0.00 C ATOM 1191 C GLU A 86 15.236 7.763 -10.420 1.00 0.00 C ATOM 1192 O GLU A 86 14.183 7.602 -10.993 1.00 0.00 O ATOM 1193 CB GLU A 86 17.649 7.251 -10.981 1.00 0.00 C ATOM 1194 CG GLU A 86 18.410 6.213 -11.811 1.00 0.00 C ATOM 1195 CD GLU A 86 19.915 6.412 -11.623 1.00 0.00 C ATOM 1196 OE1 GLU A 86 20.288 7.346 -10.934 1.00 0.00 O ATOM 1197 OE2 GLU A 86 20.670 5.625 -12.171 1.00 0.00 O ATOM 0 H GLU A 86 15.685 4.671 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 86 16.455 6.257 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.459 8.140 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.257 7.565 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.125 5.207 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.148 6.312 -12.865 1.00 0.00 H new ATOM 1204 N PRO A 87 15.529 8.845 -9.716 1.00 0.00 N ATOM 1205 CA PRO A 87 14.586 10.006 -9.536 1.00 0.00 C ATOM 1206 C PRO A 87 14.560 10.889 -10.783 1.00 0.00 C ATOM 1207 O PRO A 87 13.525 11.386 -11.191 1.00 0.00 O ATOM 1208 CB PRO A 87 15.176 10.751 -8.343 1.00 0.00 C ATOM 1209 CG PRO A 87 16.649 10.383 -8.264 1.00 0.00 C ATOM 1210 CD PRO A 87 16.843 9.068 -9.023 1.00 0.00 C ATOM 0 HA PRO A 87 13.552 9.699 -9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.055 11.827 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.661 10.473 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.264 11.170 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.961 10.274 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.663 9.138 -9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.080 8.248 -8.345 1.00 0.00 H new ATOM 1218 N GLU A 88 15.698 11.081 -11.377 1.00 0.00 N ATOM 1219 CA GLU A 88 15.804 11.934 -12.600 1.00 0.00 C ATOM 1220 C GLU A 88 14.575 11.779 -13.506 1.00 0.00 C ATOM 1221 O GLU A 88 14.236 12.679 -14.249 1.00 0.00 O ATOM 1222 CB GLU A 88 17.056 11.533 -13.382 1.00 0.00 C ATOM 1223 CG GLU A 88 17.139 12.354 -14.670 1.00 0.00 C ATOM 1224 CD GLU A 88 18.551 12.251 -15.252 1.00 0.00 C ATOM 1225 OE1 GLU A 88 19.494 12.372 -14.489 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.662 12.052 -16.451 1.00 0.00 O ATOM 0 H GLU A 88 16.581 10.677 -11.065 1.00 0.00 H new ATOM 0 HA GLU A 88 15.863 12.975 -12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.946 11.699 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.025 10.469 -13.618 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.409 11.990 -15.393 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.894 13.396 -14.466 1.00 0.00 H new ATOM 1233 N LEU A 89 13.905 10.659 -13.470 1.00 0.00 N ATOM 1234 CA LEU A 89 12.718 10.483 -14.343 1.00 0.00 C ATOM 1235 C LEU A 89 11.883 9.338 -13.783 1.00 0.00 C ATOM 1236 O LEU A 89 11.516 8.422 -14.492 1.00 0.00 O ATOM 1237 CB LEU A 89 13.178 10.129 -15.761 1.00 0.00 C ATOM 1238 CG LEU A 89 14.247 9.038 -15.693 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.672 7.727 -16.234 1.00 0.00 C ATOM 1240 CD2 LEU A 89 15.453 9.453 -16.538 1.00 0.00 C ATOM 0 H LEU A 89 14.130 9.862 -12.874 1.00 0.00 H new ATOM 0 HA LEU A 89 12.131 11.401 -14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.331 9.786 -16.355 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.577 11.014 -16.257 1.00 0.00 H new ATOM 0 HG LEU A 89 14.559 8.898 -14.658 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.433 6.949 -16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.812 7.431 -15.633 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.360 7.866 -17.269 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.216 8.676 -16.490 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.141 9.592 -17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.862 10.387 -16.154 1.00 0.00 H new ATOM 1252 N ALA A 90 11.583 9.370 -12.511 1.00 0.00 N ATOM 1253 CA ALA A 90 10.787 8.273 -11.929 1.00 0.00 C ATOM 1254 C ALA A 90 9.611 8.842 -11.167 1.00 0.00 C ATOM 1255 O ALA A 90 9.502 8.655 -9.978 1.00 0.00 O ATOM 1256 CB ALA A 90 11.621 7.458 -10.956 1.00 0.00 C ATOM 0 H ALA A 90 11.857 10.107 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 90 10.448 7.637 -12.747 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.013 6.655 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.477 7.031 -11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.973 8.102 -10.150 1.00 0.00 H new ATOM 1262 N LYS A 91 8.728 9.523 -11.827 1.00 0.00 N ATOM 1263 CA LYS A 91 7.570 10.068 -11.116 1.00 0.00 C ATOM 1264 C LYS A 91 6.909 8.927 -10.369 1.00 0.00 C ATOM 1265 O LYS A 91 7.427 7.835 -10.255 1.00 0.00 O ATOM 1266 CB LYS A 91 6.563 10.680 -12.093 1.00 0.00 C ATOM 1267 CG LYS A 91 7.297 11.317 -13.273 1.00 0.00 C ATOM 1268 CD LYS A 91 6.496 12.515 -13.786 1.00 0.00 C ATOM 1269 CE LYS A 91 7.374 13.768 -13.757 1.00 0.00 C ATOM 1270 NZ LYS A 91 8.115 13.882 -15.046 1.00 0.00 N ATOM 0 H LYS A 91 8.765 9.721 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 91 7.898 10.852 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.879 9.911 -12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.959 11.430 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.293 11.637 -12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.429 10.586 -14.071 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.148 12.325 -14.802 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.610 12.665 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.758 14.654 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.076 13.715 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.713 14.733 -15.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.713 13.042 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.437 13.951 -15.831 1.00 0.00 H new ATOM 1284 N TYR A 92 5.784 9.189 -9.840 1.00 0.00 N ATOM 1285 CA TYR A 92 5.075 8.183 -9.060 1.00 0.00 C ATOM 1286 C TYR A 92 3.575 8.371 -9.230 1.00 0.00 C ATOM 1287 O TYR A 92 3.115 9.285 -9.887 1.00 0.00 O ATOM 1288 CB TYR A 92 5.470 8.437 -7.625 1.00 0.00 C ATOM 1289 CG TYR A 92 6.978 8.348 -7.496 1.00 0.00 C ATOM 1290 CD1 TYR A 92 7.782 9.480 -7.711 1.00 0.00 C ATOM 1291 CD2 TYR A 92 7.573 7.127 -7.164 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.174 9.379 -7.592 1.00 0.00 C ATOM 1293 CE2 TYR A 92 8.960 7.030 -7.048 1.00 0.00 C ATOM 1294 CZ TYR A 92 9.762 8.154 -7.262 1.00 0.00 C ATOM 1295 OH TYR A 92 11.134 8.056 -7.146 1.00 0.00 O ATOM 0 H TYR A 92 5.307 10.087 -9.916 1.00 0.00 H new ATOM 0 HA TYR A 92 5.321 7.168 -9.373 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.124 9.421 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.994 7.707 -6.970 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.328 10.426 -7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.957 6.256 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.794 10.248 -7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.415 6.084 -6.792 1.00 0.00 H new ATOM 0 HH TYR A 92 11.365 7.222 -6.686 1.00 0.00 H new ATOM 1305 N THR A 93 2.818 7.516 -8.630 1.00 0.00 N ATOM 1306 CA THR A 93 1.337 7.629 -8.728 1.00 0.00 C ATOM 1307 C THR A 93 0.761 7.744 -7.319 1.00 0.00 C ATOM 1308 O THR A 93 1.200 7.080 -6.401 1.00 0.00 O ATOM 1309 CB THR A 93 0.758 6.409 -9.466 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.347 6.824 -10.256 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.293 5.332 -8.476 1.00 0.00 C ATOM 0 H THR A 93 3.156 6.734 -8.069 1.00 0.00 H new ATOM 0 HA THR A 93 1.067 8.518 -9.298 1.00 0.00 H new ATOM 0 HB THR A 93 1.539 5.984 -10.096 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.719 6.051 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.111 4.482 -9.026 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.139 5.004 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.479 5.744 -7.826 1.00 0.00 H new ATOM 1319 N THR A 94 -0.219 8.576 -7.141 1.00 0.00 N ATOM 1320 CA THR A 94 -0.822 8.737 -5.792 1.00 0.00 C ATOM 1321 C THR A 94 -1.922 7.708 -5.610 1.00 0.00 C ATOM 1322 O THR A 94 -2.997 7.822 -6.164 1.00 0.00 O ATOM 1323 CB THR A 94 -1.402 10.147 -5.649 1.00 0.00 C ATOM 1324 OG1 THR A 94 -0.402 11.103 -5.974 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.870 10.364 -4.210 1.00 0.00 C ATOM 0 H THR A 94 -0.631 9.155 -7.873 1.00 0.00 H new ATOM 0 HA THR A 94 -0.056 8.590 -5.030 1.00 0.00 H new ATOM 0 HB THR A 94 -2.249 10.263 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.772 12.006 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.283 11.368 -4.109 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.637 9.630 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.025 10.249 -3.531 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.655 6.697 -4.841 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.671 5.654 -4.624 1.00 0.00 C ATOM 1335 C CYS A 95 -3.117 5.689 -3.161 1.00 0.00 C ATOM 1336 O CYS A 95 -2.329 5.965 -2.265 1.00 0.00 O ATOM 1337 CB CYS A 95 -2.051 4.311 -4.966 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.343 3.156 -5.485 1.00 0.00 S ATOM 0 H CYS A 95 -0.771 6.552 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.544 5.820 -5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.316 4.431 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.521 3.914 -4.100 1.00 0.00 H new ATOM 1343 N THR A 96 -4.377 5.432 -2.915 1.00 0.00 N ATOM 1344 CA THR A 96 -4.890 5.464 -1.517 1.00 0.00 C ATOM 1345 C THR A 96 -5.538 4.121 -1.168 1.00 0.00 C ATOM 1346 O THR A 96 -6.337 3.591 -1.921 1.00 0.00 O ATOM 1347 CB THR A 96 -5.934 6.575 -1.380 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.443 7.763 -1.987 1.00 0.00 O ATOM 1349 CG2 THR A 96 -6.216 6.835 0.100 1.00 0.00 C ATOM 0 H THR A 96 -5.072 5.201 -3.625 1.00 0.00 H new ATOM 0 HA THR A 96 -4.058 5.653 -0.838 1.00 0.00 H new ATOM 0 HB THR A 96 -6.856 6.269 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.111 8.474 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.960 7.626 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.594 5.924 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.296 7.140 0.598 1.00 0.00 H new ATOM 1357 N PHE A 97 -5.200 3.577 -0.027 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.781 2.281 0.406 1.00 0.00 C ATOM 1359 C PHE A 97 -6.700 2.525 1.601 1.00 0.00 C ATOM 1360 O PHE A 97 -6.326 3.184 2.550 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.672 1.324 0.849 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.513 1.302 -0.151 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.670 1.770 -1.471 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.264 0.792 0.243 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.600 1.726 -2.359 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.204 0.755 -0.652 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.365 1.220 -1.951 1.00 0.00 C ATOM 0 H PHE A 97 -4.535 3.986 0.629 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.331 1.846 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.302 1.624 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.080 0.319 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.623 2.163 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.128 0.426 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.726 2.085 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.249 0.362 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.537 1.190 -2.643 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.888 1.990 1.586 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.788 2.199 2.754 1.00 0.00 C ATOM 1379 C VAL A 98 -9.233 0.816 3.247 1.00 0.00 C ATOM 1380 O VAL A 98 -9.920 0.095 2.552 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.981 3.064 2.323 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -11.201 2.781 3.206 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.600 4.541 2.454 1.00 0.00 C ATOM 0 H VAL A 98 -8.271 1.425 0.828 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.283 2.721 3.566 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.233 2.826 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.035 3.404 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.478 1.730 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.959 3.007 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.442 5.162 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.343 4.760 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.743 4.754 1.815 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.805 0.417 4.419 1.00 0.00 N ATOM 1394 CA VAL A 99 -9.167 -0.946 4.911 1.00 0.00 C ATOM 1395 C VAL A 99 -9.797 -0.899 6.306 1.00 0.00 C ATOM 1396 O VAL A 99 -9.198 -0.456 7.258 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.889 -1.810 4.929 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.827 -2.678 6.194 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.903 -2.699 3.701 1.00 0.00 C ATOM 0 H VAL A 99 -8.226 0.971 5.050 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.911 -1.378 4.242 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.014 -1.160 4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.916 -3.277 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.827 -2.037 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.694 -3.338 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.008 -3.320 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.787 -3.336 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.925 -2.080 2.804 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.981 -1.417 6.449 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.598 -1.434 7.800 1.00 0.00 C ATOM 1411 C TYR A 100 -11.006 -2.619 8.570 1.00 0.00 C ATOM 1412 O TYR A 100 -10.833 -3.691 8.021 1.00 0.00 O ATOM 1413 CB TYR A 100 -13.113 -1.569 7.682 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.768 -0.698 8.723 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.491 0.671 8.746 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.647 -1.252 9.658 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.090 1.493 9.704 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.248 -0.432 10.618 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.971 0.941 10.643 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.564 1.750 11.590 1.00 0.00 O ATOM 0 H TYR A 100 -11.542 -1.824 5.701 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.389 -0.504 8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.440 -1.274 6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.410 -2.609 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.812 1.095 8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.861 -2.310 9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.874 2.551 9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.927 -0.858 11.342 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.147 1.210 12.163 1.00 0.00 H new ATOM 1430 N SER A 101 -10.650 -2.443 9.817 1.00 0.00 N ATOM 1431 CA SER A 101 -10.030 -3.562 10.566 1.00 0.00 C ATOM 1432 C SER A 101 -10.712 -3.709 11.945 1.00 0.00 C ATOM 1433 O SER A 101 -10.485 -2.924 12.847 1.00 0.00 O ATOM 1434 CB SER A 101 -8.533 -3.231 10.714 1.00 0.00 C ATOM 1435 OG SER A 101 -8.352 -1.826 10.642 1.00 0.00 O ATOM 0 H SER A 101 -10.764 -1.575 10.341 1.00 0.00 H new ATOM 0 HA SER A 101 -10.152 -4.510 10.042 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.158 -3.609 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.961 -3.723 9.928 1.00 0.00 H new ATOM 0 HG SER A 101 -7.504 -1.628 10.192 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.555 -4.709 12.104 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.261 -4.925 13.411 1.00 0.00 C ATOM 1443 C ILE A 102 -11.464 -5.961 14.234 1.00 0.00 C ATOM 1444 O ILE A 102 -11.487 -7.131 13.919 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.667 -5.475 13.140 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.152 -4.997 11.767 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.630 -4.970 14.219 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.653 -5.254 11.635 1.00 0.00 C ATOM 0 H ILE A 102 -11.784 -5.388 11.378 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.335 -3.985 13.957 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.636 -6.564 13.156 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.943 -3.934 11.646 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.613 -5.520 10.977 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.629 -5.361 14.027 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.290 -5.309 15.198 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.657 -3.880 14.202 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.996 -4.913 10.658 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.850 -6.321 11.737 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.185 -4.711 12.416 1.00 0.00 H new ATOM 1460 N PRO A 103 -10.771 -5.509 15.250 1.00 0.00 N ATOM 1461 CA PRO A 103 -9.928 -6.395 16.129 1.00 0.00 C ATOM 1462 C PRO A 103 -10.768 -7.389 16.946 1.00 0.00 C ATOM 1463 O PRO A 103 -10.513 -8.576 16.922 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.203 -5.404 17.032 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.038 -4.134 17.035 1.00 0.00 C ATOM 1466 CD PRO A 103 -10.725 -4.073 15.672 1.00 0.00 C ATOM 0 HA PRO A 103 -9.254 -7.027 15.551 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.099 -5.803 18.041 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.197 -5.206 16.662 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -10.772 -4.153 17.841 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.412 -3.256 17.195 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.723 -3.642 15.743 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.164 -3.463 14.965 1.00 0.00 H new ATOM 1474 N TRP A 104 -11.744 -6.936 17.687 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.548 -7.903 18.500 1.00 0.00 C ATOM 1476 C TRP A 104 -13.191 -8.976 17.606 1.00 0.00 C ATOM 1477 O TRP A 104 -13.762 -9.927 18.099 1.00 0.00 O ATOM 1478 CB TRP A 104 -13.648 -7.157 19.276 1.00 0.00 C ATOM 1479 CG TRP A 104 -14.685 -6.620 18.337 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.701 -7.335 17.788 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -14.840 -5.258 17.845 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.452 -6.501 16.981 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -15.962 -5.213 16.981 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.119 -4.071 18.057 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.351 -4.032 16.351 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -14.510 -2.881 17.426 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -15.623 -2.861 16.574 1.00 0.00 C ATOM 0 H TRP A 104 -12.018 -5.957 17.767 1.00 0.00 H new ATOM 0 HA TRP A 104 -11.873 -8.393 19.202 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.114 -7.831 19.994 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.207 -6.339 19.846 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.891 -8.385 17.955 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.269 -6.802 16.450 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.259 -4.075 18.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.209 -4.022 15.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -13.950 -1.974 17.598 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -15.917 -1.941 16.091 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.147 -8.823 16.307 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.790 -9.802 15.418 1.00 0.00 C ATOM 1500 C LEU A 105 -12.853 -10.163 14.262 1.00 0.00 C ATOM 1501 O LEU A 105 -13.272 -10.755 13.288 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.994 -9.088 14.875 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.301 -9.845 15.128 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.545 -10.843 13.995 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.258 -10.586 16.469 1.00 0.00 C ATOM 0 H LEU A 105 -12.685 -8.048 15.831 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.042 -10.725 15.940 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.059 -8.099 15.329 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.868 -8.939 13.803 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.115 -9.121 15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.476 -11.380 14.178 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.615 -10.308 13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.719 -11.553 13.951 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.199 -11.115 16.623 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.436 -11.302 16.463 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.109 -9.869 17.276 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.593 -9.819 14.371 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.615 -10.136 13.297 1.00 0.00 C ATOM 1519 C ASN A 106 -11.292 -10.093 11.929 1.00 0.00 C ATOM 1520 O ASN A 106 -11.243 -11.031 11.160 1.00 0.00 O ATOM 1521 CB ASN A 106 -10.042 -11.515 13.566 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.715 -11.680 12.824 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.820 -10.871 12.968 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -8.548 -12.701 12.030 1.00 0.00 N ATOM 0 H ASN A 106 -11.200 -9.325 15.172 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.814 -9.397 13.293 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.890 -11.653 14.636 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.747 -12.281 13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.667 -12.820 11.531 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.299 -13.381 11.908 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.929 -8.997 11.632 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.623 -8.859 10.324 1.00 0.00 C ATOM 1533 C GLN A 107 -11.979 -7.727 9.524 1.00 0.00 C ATOM 1534 O GLN A 107 -12.277 -6.564 9.718 1.00 0.00 O ATOM 1535 CB GLN A 107 -14.101 -8.543 10.562 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.932 -9.815 10.378 1.00 0.00 C ATOM 1537 CD GLN A 107 -16.028 -9.565 9.342 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -16.382 -8.434 9.077 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -16.584 -10.581 8.741 1.00 0.00 N ATOM 0 H GLN A 107 -11.999 -8.184 12.245 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.538 -9.791 9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.242 -8.147 11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.436 -7.774 9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.292 -10.636 10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.376 -10.112 11.328 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.286 -11.531 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.316 -10.425 8.048 1.00 0.00 H new ATOM 1548 N ILE A 108 -11.100 -8.064 8.625 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.430 -7.024 7.798 1.00 0.00 C ATOM 1550 C ILE A 108 -11.133 -6.977 6.434 1.00 0.00 C ATOM 1551 O ILE A 108 -11.483 -8.000 5.878 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.938 -7.398 7.665 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -8.074 -6.250 8.202 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -8.567 -7.712 6.205 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.693 -6.247 7.547 1.00 0.00 C ATOM 0 H ILE A 108 -10.814 -9.023 8.426 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.493 -6.035 8.253 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.753 -8.298 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.571 -5.298 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.967 -6.346 9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.510 -7.971 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.167 -8.550 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.761 -6.837 5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.102 -5.423 7.947 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.189 -7.190 7.757 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.802 -6.126 6.469 1.00 0.00 H new ATOM 1567 N LYS A 109 -11.353 -5.812 5.892 1.00 0.00 N ATOM 1568 CA LYS A 109 -12.049 -5.741 4.573 1.00 0.00 C ATOM 1569 C LYS A 109 -11.514 -4.568 3.750 1.00 0.00 C ATOM 1570 O LYS A 109 -11.347 -3.468 4.246 1.00 0.00 O ATOM 1571 CB LYS A 109 -13.550 -5.556 4.801 1.00 0.00 C ATOM 1572 CG LYS A 109 -14.254 -5.375 3.454 1.00 0.00 C ATOM 1573 CD LYS A 109 -15.274 -4.241 3.558 1.00 0.00 C ATOM 1574 CE LYS A 109 -16.436 -4.509 2.600 1.00 0.00 C ATOM 1575 NZ LYS A 109 -16.685 -3.296 1.768 1.00 0.00 N ATOM 0 H LYS A 109 -11.086 -4.915 6.297 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.867 -6.667 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.958 -6.421 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.728 -4.688 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.523 -5.150 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.752 -6.301 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.643 -4.162 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.801 -3.289 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.205 -5.361 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.333 -4.767 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.475 -3.478 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.923 -2.494 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.830 -3.069 1.221 1.00 0.00 H new ATOM 1589 N LEU A 110 -11.249 -4.799 2.489 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.733 -3.705 1.621 1.00 0.00 C ATOM 1591 C LEU A 110 -11.852 -2.724 1.307 1.00 0.00 C ATOM 1592 O LEU A 110 -13.018 -3.018 1.488 1.00 0.00 O ATOM 1593 CB LEU A 110 -10.185 -4.290 0.321 1.00 0.00 C ATOM 1594 CG LEU A 110 -9.226 -3.288 -0.333 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -8.327 -2.657 0.732 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -8.359 -4.021 -1.346 1.00 0.00 C ATOM 0 H LEU A 110 -11.369 -5.700 2.026 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.933 -3.182 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.665 -5.227 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.005 -4.521 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.802 -2.506 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.648 -1.946 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.943 -2.138 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.749 -3.436 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.674 -3.316 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.788 -4.800 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.993 -4.473 -2.108 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.512 -1.554 0.845 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.572 -0.560 0.534 1.00 0.00 C ATOM 1610 C LEU A 111 -12.094 0.384 -0.562 1.00 0.00 C ATOM 1611 O LEU A 111 -12.367 0.197 -1.731 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.893 0.245 1.796 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.919 -0.512 2.642 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.235 -1.073 3.891 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.038 0.444 3.064 1.00 0.00 C ATOM 0 H LEU A 111 -10.555 -1.246 0.671 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.466 -1.081 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.984 0.413 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.284 1.226 1.524 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.339 -1.330 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.965 -1.612 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.436 -1.753 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.816 -0.254 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.769 -0.095 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.617 1.261 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.526 0.847 2.177 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.399 1.409 -0.183 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.911 2.397 -1.188 1.00 0.00 C ATOM 1629 C GLU A 112 -9.423 2.180 -1.491 1.00 0.00 C ATOM 1630 O GLU A 112 -8.578 2.946 -1.071 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.114 3.811 -0.644 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.473 4.754 -1.794 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.075 6.043 -1.229 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.224 6.009 -0.823 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -11.374 7.042 -1.215 1.00 0.00 O ATOM 0 H GLU A 112 -11.143 1.612 0.783 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.476 2.263 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.907 3.814 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.207 4.155 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.584 4.983 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.184 4.272 -2.465 1.00 0.00 H new ATOM 1642 N SER A 113 -9.097 1.163 -2.242 1.00 0.00 N ATOM 1643 CA SER A 113 -7.668 0.923 -2.601 1.00 0.00 C ATOM 1644 C SER A 113 -7.515 1.092 -4.108 1.00 0.00 C ATOM 1645 O SER A 113 -7.668 0.156 -4.868 1.00 0.00 O ATOM 1646 CB SER A 113 -7.244 -0.490 -2.195 1.00 0.00 C ATOM 1647 OG SER A 113 -8.350 -1.172 -1.620 1.00 0.00 O ATOM 0 H SER A 113 -9.759 0.487 -2.623 1.00 0.00 H new ATOM 0 HA SER A 113 -7.034 1.636 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.880 -1.036 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.422 -0.443 -1.481 1.00 0.00 H new ATOM 0 HG SER A 113 -9.027 -1.337 -2.309 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.224 2.283 -4.546 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.074 2.516 -6.013 1.00 0.00 C ATOM 1655 C LYS A 114 -6.154 3.712 -6.252 1.00 0.00 C ATOM 1656 O LYS A 114 -5.949 4.534 -5.382 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.446 2.798 -6.628 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.719 1.790 -7.748 1.00 0.00 C ATOM 1659 CD LYS A 114 -10.061 1.100 -7.499 1.00 0.00 C ATOM 1660 CE LYS A 114 -11.168 1.850 -8.240 1.00 0.00 C ATOM 1661 NZ LYS A 114 -12.401 1.871 -7.404 1.00 0.00 N ATOM 0 H LYS A 114 -7.083 3.104 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.642 1.629 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.220 2.728 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.478 3.814 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.733 2.297 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.920 1.050 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.018 0.065 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.276 1.076 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.848 2.868 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.372 1.367 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.154 2.381 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.710 0.896 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.201 2.351 -6.503 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.592 3.812 -7.425 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.678 4.951 -7.719 1.00 0.00 C ATOM 1677 C CYS A 115 -5.312 5.856 -8.778 1.00 0.00 C ATOM 1678 O CYS A 115 -5.957 5.393 -9.698 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.340 4.415 -8.241 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.953 2.836 -7.441 1.00 0.00 S ATOM 0 H CYS A 115 -5.726 3.154 -8.193 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.509 5.522 -6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.388 4.283 -9.322 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.547 5.137 -8.043 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.132 7.142 -8.656 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.722 8.077 -9.656 1.00 0.00 C ATOM 1687 C GLN A 116 -5.442 7.559 -11.066 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.096 9.463 -9.487 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.773 10.448 -10.443 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.184 10.286 -11.845 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -5.825 9.755 -12.729 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -3.977 10.724 -12.087 1.00 0.00 N ATOM 0 H GLN A 116 -4.602 7.587 -7.907 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.799 8.143 -9.502 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -5.210 9.802 -8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -4.026 9.418 -9.691 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.848 10.268 -10.466 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -5.628 11.470 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.438 11.170 -11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -3.574 10.620 -13.018 1.00 0.00 H new TER 1701 GLN A 116